Geometry & MOs

Info

ID:	188837
PubChem CID:	77772903
Reduced:	SCl2N3O4C36H37 (1)
Stoich.:	AB2C3D4E36F37 (1)
Weight, g/mol:	440.20597
ΔH_f, kcal/mol:	-110.28
Dipole, Da:	2.84
IP(EA), eV:	-8.82(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(4-methanehydrazonoylphenyl)butylamino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CSC(CC2=CC=CC=C2)C(=O)NC(C(=O)N)C(=O)N(CCC3=CC(=CC=C3)Cl)CCC4=CC(=CC=C4)Cl

DOS

IR

Vibrations