Geometry & MOs

Info

ID:	440419
PubChem CID:	135230396
Reduced:	FO4N8C32H37 (1)
Stoich.:	AB4C8D32E37 (1)
Weight, g/mol:	276.023645
ΔH_f, kcal/mol:	-59.33
Dipole, Da:	7.94
IP(EA), eV:	-8.36(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloropyrimidin-4-yl)-2-methylsulfanylbenzimidazole

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CN=C(C=C2)N3CCC(CC3)O)C4=CC=CC=C4)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC(=NC=C6)F)CCOC

DOS

IR

Vibrations