Geometry & MOs

Info

ID:	28389
PubChem CID:	827346
Reduced:	N3O3H11C12 (1)
Stoich.:	A3B3C11D12 (1)
Weight, g/mol:	209.087435
ΔH_f, kcal/mol:	13.06
Dipole, Da:	5.82
IP(EA), eV:	-10.1(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-propan-2-ylsulfanylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

DOS

IR

Vibrations