Geometry & MOs

Info

ID:	240760
PubChem CID:	93617369
Reduced:	NSO4C18H21 (1)
Stoich.:	ABC4D18E21 (1)
Weight, g/mol:	313.098394
ΔH_f, kcal/mol:	-126.84
Dipole, Da:	6.49
IP(EA), eV:	-8.82(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(5-acetyl-2-methoxyphenyl)methylsulfonyl]-N-methylpropanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CS(=O)(=O)[C@H](C)C(=O)NC2=CC=CC=C2OC

DOS

IR

Vibrations