Geometry & MOs

Info

ID:	81576
PubChem CID:	49854881
Reduced:	ClSN5O5C20H22 (1)
Stoich.:	ABC5D5E20F22 (1)
Weight, g/mol:	463.108103
ΔH_f, kcal/mol:	-116.21
Dipole, Da:	2.84
IP(EA), eV:	-8.37(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[5-chloro-2-(4-methoxy-2-methylanilino)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)OC)NS(=O)(=O)C

DOS

IR

Vibrations