Geometry & MOs

Info

ID:	178981
PubChem CID:	76412835
Reduced:	ClS2N3O3C24H24 (1)
Stoich.:	AB2C3D3E24F24 (1)
Weight, g/mol:	594.341735
ΔH_f, kcal/mol:	-50.06
Dipole, Da:	3.45
IP(EA), eV:	-8.93(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[1-[tert-butyl(cyclohexanecarbonyl)amino]-2-hydroxy-4-phenylbutyl]-N-(2,4-diamino-4-oxobutanoyl)carbamate

Drug info:

PubChemData

Smile

C1CCSC(C1)(CC(=O)NO)C2=CC=C(S2)C3=CC(=CC=C3)NC(=O)NC4=CC=C(C=C4)Cl

DOS

IR

Vibrations