Geometry & MOs

Info

ID:	299172
PubChem CID:	117673884
Reduced:	SCl2O5N8C26H26 (1)
Stoich.:	AB2C5D8E26F26 (1)
Weight, g/mol:	525.108293
ΔH_f, kcal/mol:	-47.62
Dipole, Da:	7.47
IP(EA), eV:	-8.19(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2,6-dichloro-N-(1H-imidazol-2-ylmethyl)-3,5-dimethoxyanilino]-3-(1-methylpyrazol-4-yl)quinazolin-4-one

Drug info:

PubChemData

Smile

CN1C=C(C=N1)N2C=NC3=C(C2=O)C=C(C=C3)N(CC4=NC=CN4S(=O)(=O)N(C)C)C5=C(C(=CC(=C5Cl)OC)OC)Cl

DOS

IR

Vibrations