Geometry & MOs

Info

ID:	68632
PubChem CID:	46508802
Reduced:	OSN4C24H24 (1)
Stoich.:	ABC4D24E24 (1)
Weight, g/mol:	351.140533
ΔH_f, kcal/mol:	72.57
Dipole, Da:	6.78
IP(EA), eV:	-9.15(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)C3=CC=C(C=C3)CN4C=NC=N4

DOS

IR

Vibrations