Geometry & MOs

Info

ID:	319990
PubChem CID:	126657747
Reduced:	ClOH15C16 (1)
Stoich.:	ABC15D16 (1)
Weight, g/mol:	461.188546
ΔH_f, kcal/mol:	-17.18
Dipole, Da:	2.79
IP(EA), eV:	-9.17(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[1-[2-(trimethyl-lambda4-sulfanyl)ethoxymethyl]benzimidazol-2-yl]-1,3-benzoxazol-6-yl]pyridin-3-amine

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl)O

DOS

IR

Vibrations