Geometry & MOs

Info

ID:	81478
PubChem CID:	49854771
Reduced:	BrSO4N6C26H33 (1)
Stoich.:	ABC4D6E26F33 (1)
Weight, g/mol:	509.113582
ΔH_f, kcal/mol:	-86.18
Dipole, Da:	9.89
IP(EA), eV:	-8.12(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)OCCCN2CCCCC2)NC3=NC=C(C(=N3)NC4=CC=CC=C4NS(=O)(=O)C)Br

DOS

IR

Vibrations