Geometry & MOs

Info

ID:	84770
PubChem CID:	49869775
Reduced:	O2N3C26H27 (1)
Stoich.:	A2B3C26D27 (1)
Weight, g/mol:	482.148472
ΔH_f, kcal/mol:	-1.22
Dipole, Da:	4.04
IP(EA), eV:	-8.03(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methoxy-2-methylsulfonylbenzimidazol-1-yl)-6-morpholin-4-yl-N-pyridin-3-yl-1,3,5-triazin-2-amine

Drug info:

PubChemData

Smile

CN1CCC2=C(CC1)N(C3=C2C=CC(=C3)N4C=CC(=CC4=O)OCC5=CC=CC=C5)C

DOS

IR

Vibrations