Geometry & MOs

Info

ID:	236105
PubChem CID:	92711595
Reduced:	SN2O3C26H26 (1)
Stoich.:	AB2C3D26E26 (1)
Weight, g/mol:	392.155849
ΔH_f, kcal/mol:	-57.63
Dipole, Da:	4.04
IP(EA), eV:	-8.23(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(S2)[C@@H](N(CC3)C(=O)NC4=CC5=C(C=C4)OCCO5)C6=CC=CC=C6

DOS

IR

Vibrations