Geometry & MOs

Info

ID:	159644
PubChem CID:	57288573
Reduced:	NO5C24H49 (1)
Stoich.:	AB5C24D49 (1)
Weight, g/mol:	708.276376
ΔH_f, kcal/mol:	-312.48
Dipole, Da:	2.46
IP(EA), eV:	-9.52(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-thiazol-5-ylmethyl N-[[(2S,3S)-4-(benzylamino)-3-hydroxy-1-phenylbutan-2-yl]-[3-methyl-2-[(3-propan-2-yl-1,2-thiazol-5-yl)methoxycarbonylamino]butanoyl]amino]carbamate

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

CCCCCCCCCCCCCCCCCCN[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O

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

CCCCCCCCCCCCCCCCCCN[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):