Geometry & MOs

Info

ID:	178848
PubChem CID:	76389520
Reduced:	N5O10C30H41 (1)
Stoich.:	A5B10C30D41 (1)
Weight, g/mol:	445.171165
ΔH_f, kcal/mol:	-426.81
Dipole, Da:	4.94
IP(EA), eV:	-9.5(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetamido-3-[3-phenyl-4-(4-phenylphenyl)but-2-enyl]sulfanylpropanoic acid

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(CC(=O)O)C(=O)NC(C(C)C)C(=O)N1CCC2=CC=CC=C2C1C(=O)NC3CC(=O)OC3O)NC(=O)C

DOS

IR

Vibrations