Geometry & MOs

Info

ID:	194391
PubChem CID:	78527800
Reduced:	ClNO2C9H9 (2)
Stoich.:	ABC2D9E9 (2)
Weight, g/mol:	395.081888
ΔH_f, kcal/mol:	-83.79
Dipole, Da:	1.16
IP(EA), eV:	-8.66(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(2-chlorophenyl)tetrazol-2-yl]-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)CON=CC2=CC(=C(C(=C2)Cl)OC)OC)Cl

DOS

IR

Vibrations