Geometry & MOs

Info

ID:	301875
PubChem CID:	123098996
Reduced:	SN2O2C13H16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	430.192629
ΔH_f, kcal/mol:	-38.48
Dipole, Da:	3.45
IP(EA), eV:	-8.52(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]sulfinyl-N-(4-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CS(=O)CCCC#N

DOS

IR

Vibrations