Geometry & MOs

Info

ID:	236099
PubChem CID:	92711536
Reduced:	SN2O2C25H26 (1)
Stoich.:	AB2C2D25E26 (1)
Weight, g/mol:	422.121962
ΔH_f, kcal/mol:	-18.11
Dipole, Da:	6.31
IP(EA), eV:	-8.39(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-N-(3-chlorophenyl)-1-phenyl-3,4,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-c]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NC(=O)N2CCC3=C([C@H]2C4=CC=CC=C4)SC5=C3CCCC5

DOS

IR

Vibrations