Geometry & MOs

Info

ID:	77562
PubChem CID:	49655460
Reduced:	FO2N3H14C18 (1)
Stoich.:	AB2C3D14E18 (1)
Weight, g/mol:	385.120861
ΔH_f, kcal/mol:	-48.53
Dipole, Da:	4.41
IP(EA), eV:	-8.98(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(C2=C(NC1=O)N(C=N2)C3=CC(=CC=C3)F)C4=CC(=CC=C4)O

DOS

IR

Vibrations