Geometry & MOs

Info

ID:	81575
PubChem CID:	49854880
Reduced:	ClFSO4N5C19H19 (1)
Stoich.:	ABCD4E5F19G19 (1)
Weight, g/mol:	479.103018
ΔH_f, kcal/mol:	-120.58
Dipole, Da:	5.35
IP(EA), eV:	-8.41(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[5-chloro-2-(2,4-dimethoxyanilino)pyrimidin-4-yl]amino]-5-methoxyphenyl]methanesulfonamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)OC)F)NS(=O)(=O)C

DOS

IR

Vibrations