Geometry & MOs

Info

ID:	441608
PubChem CID:	135237172
Reduced:	ClO3N8C27H33 (1)
Stoich.:	AB3C8D27E33 (1)
Weight, g/mol:	658.164597
ΔH_f, kcal/mol:	-29.42
Dipole, Da:	7.39
IP(EA), eV:	-8.06(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-3-[2-(4-fluoro-2-methoxy-5-nitroanilino)pyrimidin-4-yl]benzimidazol-2-one;4-methylbenzenesulfonic acid

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2N(C1=O)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC.Cl

DOS

IR

Vibrations