Geometry & MOs

Info

ID:	78841
PubChem CID:	49737893
Reduced:	OSN4C18H18 (1)
Stoich.:	ABC4D18E18 (1)
Weight, g/mol:	382.109962
ΔH_f, kcal/mol:	34.06
Dipole, Da:	3.95
IP(EA), eV:	-8.83(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(4-methylpyridin-2-yl)amino]-1,3-thiazol-4-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1)NC2=NC(=CS2)CC(=O)NCC3=CC=CC=C3

DOS

IR

Vibrations