Geometry & MOs

Info

ID:	340129
PubChem CID:	127262138
Reduced:	IO3N4C25H33 (1)
Stoich.:	AB3C4D25E33 (1)
Weight, g/mol:	529.232519
ΔH_f, kcal/mol:	-96.93
Dipole, Da:	3.56
IP(EA), eV:	-9.42(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[(2S)-1-(N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-nitroanilino)-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-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

C[C@@H](C(=O)N(CC1=CC=C(C=C1)I)[C@@H](CC2=CC=CC=C2)C(=O)N)NC(=O)[C@@H](CC(C)C)N

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

C[C@@H](C(=O)N(CC1=CC=C(C=C1)I)[C@@H](CC2=CC=CC=C2)C(=O)N)NC(=O)[C@@H](CC(C)C)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):