Geometry & MOs

Info

ID:	178457
PubChem CID:	76332145
Reduced:	FSO2N3H20C22 (1)
Stoich.:	ABC2D3E20F22 (1)
Weight, g/mol:	425.096476
ΔH_f, kcal/mol:	-63.05
Dipole, Da:	3.15
IP(EA), eV:	-8.6(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-chlorobenzoyl)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=C(C=C4)F

DOS

IR

Vibrations