Geometry & MOs

Info

ID:	196082
PubChem CID:	78776526
Reduced:	N3O3C16H19 (1)
Stoich.:	A3B3C16D19 (1)
Weight, g/mol:	252.093249
ΔH_f, kcal/mol:	-69.46
Dipole, Da:	1.46
IP(EA), eV:	-7.88(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetamido-N-(3-methylsulfanylphenyl)propanamide

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)NC(=O)CCNC(=O)C2=CC=CO2

DOS

IR

Vibrations