Geometry & MOs

Info

ID:	60581
PubChem CID:	26697221
Reduced:	SN4O5C21H26 (1)
Stoich.:	AB4C5D21E26 (1)
Weight, g/mol:	327.1293
ΔH_f, kcal/mol:	-102.22
Dipole, Da:	10.26
IP(EA), eV:	-8.72(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethylphenyl)-4-(4-methylsulfanylphenyl)-4-oxobutanamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)NC)[N+](=O)[O-]

DOS

IR

Vibrations