Geometry & MOs

Info

ID:	299171
PubChem CID:	117673875
Reduced:	F2N3O4H21C24 (1)
Stoich.:	A2B3C4D21E24 (1)
Weight, g/mol:	632.112393
ΔH_f, kcal/mol:	-146.76
Dipole, Da:	1.0
IP(EA), eV:	-8.48(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,6-dichloro-3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)-4-oxoquinazolin-6-yl]anilino)methyl]-N,N-dimethylimidazole-1-sulfonamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1F)N(CCO)C2=CC3=C(C=C2)N=CN(C3=O)C4=CC=CC=C4)F)OC

DOS

IR

Vibrations