Geometry & MOs

Info

ID:	77558
PubChem CID:	49655435
Reduced:	FNO4H16C20 (1)
Stoich.:	ABC4D16E20 (1)
Weight, g/mol:	367.110296
ΔH_f, kcal/mol:	-111.7
Dipole, Da:	3.95
IP(EA), eV:	-9.3(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-acetylphenyl)-2-(tetrazol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=COC(=CC2=O)C(=O)NCC3=CC=CC=C3F

DOS

IR

Vibrations