Geometry & MOs

Info

ID:	43544
PubChem CID:	10321446
Reduced:	SN2O3C26H28 (1)
Stoich.:	AB2C3D26E28 (1)
Weight, g/mol:	448.182064
ΔH_f, kcal/mol:	-71.09
Dipole, Da:	1.39
IP(EA), eV:	-9.11(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[3-[benzylcarbamoyl(butyl)amino]phenyl]sulfanylphenyl]acetic acid

Drug info:

PubChemData

Smile

CCCCN(C1=CC(=CC=C1)SC2=CC=CC(=C2)OC(=O)C)C(=O)NCC3=CC=CC=C3

DOS

IR

Vibrations