Geometry & MOs

Info

ID:	236163
PubChem CID:	92711782
Reduced:	SN2O4C27H28 (1)
Stoich.:	AB2C4D27E28 (1)
Weight, g/mol:	432.187149
ΔH_f, kcal/mol:	-93.96
Dipole, Da:	1.23
IP(EA), eV:	-8.27(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-N-benzyl-1-(2-methoxyphenyl)-3,4,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-c]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1[C@@H]2C3=C(CCN2C(=O)NC4=CC5=C(C=C4)OCCO5)C6=C(S3)CCCC6

DOS

IR

Vibrations