Geometry & MOs

Info

ID:	89388
PubChem CID:	49961369
Reduced:	SN3O4C20H27 (1)
Stoich.:	AB3C4D20E27 (1)
Weight, g/mol:	388.142307
ΔH_f, kcal/mol:	-162.56
Dipole, Da:	4.74
IP(EA), eV:	-8.89(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(2-phenylethylcarbamoyl)phenyl]carbamoyl]benzoic acid

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1C(=O)NC2CCCCC2)C(=S)NC(=O)CCC(=O)OC

DOS

IR

Vibrations