Geometry & MOs

Info

ID:	28413
PubChem CID:	827446
Reduced:	NO4C19H21 (1)
Stoich.:	AB4C19D21 (1)
Weight, g/mol:	332.099477
ΔH_f, kcal/mol:	-136.29
Dipole, Da:	3.88
IP(EA), eV:	-9.06(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-2-[(2-fluorobenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=CC=C1)NC(=O)COC2=C(C=CC=C2C)C

DOS

IR

Vibrations