Geometry & MOs

Info

ID:	168832
PubChem CID:	75024697
Reduced:	SO2N4C24H32 (1)
Stoich.:	AB2C4D24E32 (1)
Weight, g/mol:	464.04054
ΔH_f, kcal/mol:	-48.03
Dipole, Da:	5.14
IP(EA), eV:	-9.11(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[[2-(4-bromophenyl)acetyl]amino]-3-sulfanylpropanoyl]amino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=CC=C(S2)C(=O)N(C)C3CCN(C3)C(=O)N4CCC(C4)NC

DOS

IR

Vibrations