Geometry & MOs

Info

ID:	69097
PubChem CID:	46518313
Reduced:	SO2N4H18C22 (1)
Stoich.:	AB2C4D18E22 (1)
Weight, g/mol:	329.119798
ΔH_f, kcal/mol:	23.41
Dipole, Da:	6.09
IP(EA), eV:	-8.43(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(methylcarbamoylamino)phenyl]-4-(methylsulfanylmethyl)benzamide

Drug info:

PubChemData

Smile

CNC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4

DOS

IR

Vibrations