Geometry & MOs

Info

ID:	191443
PubChem CID:	78147670
Reduced:	OSN7H23C24 (1)
Stoich.:	ABC7D23E24 (1)
Weight, g/mol:	514.226329
ΔH_f, kcal/mol:	98.85
Dipole, Da:	4.08
IP(EA), eV:	-8.21(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-(6-tert-butyl-1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]-2-methylpiperazin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone

Drug info:

PubChemData

Smile

CC1CN(CCN1C(=O)CN2C=CC3=C2N=CC=C3)C4=C(N=CS4)C5=NC6=CC=CC=C6N5

DOS

IR

Vibrations