Geometry & MOs

Info

ID:	236165
PubChem CID:	92711788
Reduced:	SN2O2C27H30 (1)
Stoich.:	AB2C2D27E30 (1)
Weight, g/mol:	454.152656
ΔH_f, kcal/mol:	-35.21
Dipole, Da:	3.81
IP(EA), eV:	-8.52(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)N2CCC3=C([C@H]2C4=CC=CC=C4OC)SC5=C3CCCC5

DOS

IR

Vibrations