Geometry & MOs

Info

ID:	61338
PubChem CID:	26708270
Reduced:	SN3O4C25H29 (1)
Stoich.:	AB3C4D25E29 (1)
Weight, g/mol:	317.047966
ΔH_f, kcal/mol:	-87.3
Dipole, Da:	6.82
IP(EA), eV:	-9.27(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-fluoro-N-[3-(tetrazol-1-yl)phenyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@H](C2=CC=CC=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=C(ON=C4C)C

DOS

IR

Vibrations