Geometry & MOs

Info

ID:	178458
PubChem CID:	76332146
Reduced:	ClSO2N3H20C22 (1)
Stoich.:	ABC2D3E20F22 (1)
Weight, g/mol:	405.151098
ΔH_f, kcal/mol:	-23.28
Dipole, Da:	1.61
IP(EA), eV:	-8.56(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-phenylacetyl)amino]-N-pyridin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=C(CC1)SC(=C2C(=O)NC3=CC=CC=N3)NC(=O)C4=CC=CC=C4Cl

DOS

IR

Vibrations