Geometry & MOs

Info

ID:	55690
PubChem CID:	17395841
Reduced:	ClN3O3C18H18 (1)
Stoich.:	AB3C3D18E18 (1)
Weight, g/mol:	371.155515
ΔH_f, kcal/mol:	-0.39
Dipole, Da:	4.44
IP(EA), eV:	-9.14(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)-4-phenylbenzamide

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=C(C=C2)Cl)C(=O)C3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations