Geometry & MOs

Info

ID:	236145
PubChem CID:	92711720
Reduced:	NC16H25 (1)
Stoich.:	AB16C25 (1)
Weight, g/mol:	434.182813
ΔH_f, kcal/mol:	-21.53
Dipole, Da:	2.22
IP(EA), eV:	-8.04(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC[C@H](C)CNC1=CC=CC2=C1CCCC2

DOS

IR

Vibrations