Geometry & MOs

Info

ID:	236164
PubChem CID:	92711784
Reduced:	SN2O2C26H28 (1)
Stoich.:	AB2C2D26E28 (1)
Weight, g/mol:	446.202799
ΔH_f, kcal/mol:	-23.96
Dipole, Da:	3.16
IP(EA), eV:	-8.54(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-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)NCC4=CC=CC=C4)C5=C(S3)CCCC5

DOS

IR

Vibrations