Geometry & MOs

Info

ID:	436047
PubChem CID:	135193550
Reduced:	ClN2O5H7C12 (1)
Stoich.:	AB2C5D7E12 (1)
Weight, g/mol:	341.14495
ΔH_f, kcal/mol:	-73.76
Dipole, Da:	9.22
IP(EA), eV:	-9.84(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(4-methylphenyl)sulfanylpropanoyl]-N-propan-2-ylbenzamide

Drug info:

PubChemData

Smile

COOC1=C(C2=C(C=C1)C=C3C(=O)NC(=O)N=C3O2)Cl

DOS

IR

Vibrations