Geometry & MOs

Info

ID:	15914
PubChem CID:	455010
Reduced:	SN4O4C32H38 (1)
Stoich.:	AB4C4D32E38 (1)
Weight, g/mol:	574.261377
ΔH_f, kcal/mol:	-131.67
Dipole, Da:	2.92
IP(EA), eV:	-9.28(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4S)-2-[(1R)-2-(benzylamino)-2-oxo-1-[(2-phenylacetyl)amino]ethyl]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1([C@@H](N[C@H](S1)[C@@H](C(=O)NCC2=CC=CC=C2)NC(=O)CC3=CC=CC=C3)C(=O)N[C@@H](CC4=CC=CC=C4)CO)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1([C@@H](N[C@H](S1)[C@@H](C(=O)NCC2=CC=CC=C2)NC(=O)CC3=CC=CC=C3)C(=O)N[C@@H](CC4=CC=CC=C4)CO)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):