Geometry & MOs

Info

ID:	158765
PubChem CID:	56468355
Reduced:	FSO3N6C19H19 (1)
Stoich.:	ABC3D6E19F19 (1)
Weight, g/mol:	422.096123
ΔH_f, kcal/mol:	-55.41
Dipole, Da:	8.78
IP(EA), eV:	-9.14(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)NC3=CC(=C(C=C3)F)N4C(=NN=N4)C

DOS

IR

Vibrations