Geometry & MOs

Info

ID:	178459
PubChem CID:	76332147
Reduced:	SO2N3C23H23 (1)
Stoich.:	AB2C3D23E23 (1)
Weight, g/mol:	419.166748
ΔH_f, kcal/mol:	-22.76
Dipole, Da:	5.41
IP(EA), eV:	-8.55(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-phenylpropanoylamino)-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)CC4=CC=CC=C4

DOS

IR

Vibrations