Geometry & MOs

Info

ID:	236098
PubChem CID:	92711523
Reduced:	O3N4C23H38 (1)
Stoich.:	A3B4C23D38 (1)
Weight, g/mol:	418.171499
ΔH_f, kcal/mol:	-117.35
Dipole, Da:	7.28
IP(EA), eV:	-8.57(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOCCCN=C(NC1=CC=C(C=C1)C(=O)O)N2CCN(CC2)[C@@H](C)CC(C)C

DOS

IR

Vibrations