Geometry & MOs

Info

ID:	123199
PubChem CID:	50837054
Reduced:	OSN3H23C24 (1)
Stoich.:	ABC3D23E24 (1)
Weight, g/mol:	431.130363
ΔH_f, kcal/mol:	45.86
Dipole, Da:	4.52
IP(EA), eV:	-8.65(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)CN2C=CC=C2C3=NC(=CS3)C4=CC=C(C=C4)C

DOS

IR

Vibrations