Geometry & MOs

Info

ID:	84771
PubChem CID:	49869783
Reduced:	SO4N8C21H22 (1)
Stoich.:	AB4C8D21E22 (1)
Weight, g/mol:	454.167728
ΔH_f, kcal/mol:	-13.76
Dipole, Da:	3.31
IP(EA), eV:	-8.87(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-yl-N-pyridin-2-yl-1,3,5-triazin-2-amine

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1N=C(N2C3=NC(=NC(=N3)NC4=CN=CC=C4)N5CCOCC5)S(=O)(=O)C

DOS

IR

Vibrations