Geometry & MOs

Info

ID:	257360
PubChem CID:	103145477
Reduced:	N3O3C14H21 (1)
Stoich.:	A3B3C14D21 (1)
Weight, g/mol:	268.088164
ΔH_f, kcal/mol:	-67.64
Dipole, Da:	8.3
IP(EA), eV:	-9.44(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-amino-2,5-dimethylphenyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1[N+](=O)[O-])C)NC(=O)CCCC(C)N

DOS

IR

Vibrations