Geometry & MOs

Info

ID:	321915
PubChem CID:	126667318
Reduced:	SF2O2N8C27H30 (1)
Stoich.:	AB2C2D8E27F30 (1)
Weight, g/mol:	381.098565
ΔH_f, kcal/mol:	-31.17
Dipole, Da:	7.87
IP(EA), eV:	-8.41(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(benzimidazol-1-yl)-N-(4-fluoro-2-methoxy-5-nitrophenyl)-1,3,5-triazin-2-amine

Drug info:

PubChemData

Smile

CN1C2=C(C(=N1)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N5CCC(CC5)N(C)C)OC(F)F)SC=C2

DOS

IR

Vibrations