Geometry & MOs

Info

ID:	129399
PubChem CID:	51072487
Reduced:	N2O4C17H20 (1)
Stoich.:	A2B4C17D20 (1)
Weight, g/mol:	323.064986
ΔH_f, kcal/mol:	-119.42
Dipole, Da:	1.42
IP(EA), eV:	-9.74(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-methylsulfonyl-N-(1-thiophen-2-ylethyl)benzamide

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(=O)N(C2=O)CC(=O)NOCC3=CC=CC=C3

DOS

IR

Vibrations