Geometry & MOs

Info

ID:	136658
PubChem CID:	52079320
Reduced:	NSO4C21H23 (1)
Stoich.:	ABC4D21E23 (1)
Weight, g/mol:	393.064408
ΔH_f, kcal/mol:	-129.89
Dipole, Da:	7.65
IP(EA), eV:	-8.99(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-nitro-N-[4-[4-(tetrazol-1-yl)phenyl]-1,3-thiazol-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)CCNC(=O)C2=C(C3=C(C=C(C=C3O2)C)C)C

DOS

IR

Vibrations