Geometry & MOs

Info

ID:	68998
PubChem CID:	46515096
Reduced:	N3O5C21H21 (1)
Stoich.:	A3B5C21D21 (1)
Weight, g/mol:	379.071466
ΔH_f, kcal/mol:	-157.16
Dipole, Da:	6.16
IP(EA), eV:	-8.98(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(tetrazol-1-yl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide

Drug info:

PubChemData

Smile

COCCNC(=O)C1=CC=CC=C1NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations