Geometry & MOs

Info

ID:	80965
PubChem CID:	49854139
Reduced:	ClSN5O6C24H28 (1)
Stoich.:	ABC5D6E24F28 (1)
Weight, g/mol:	506.113917
ΔH_f, kcal/mol:	-183.53
Dipole, Da:	7.51
IP(EA), eV:	-8.39(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[5-chloro-4-[2-(methanesulfonamido)-4-methoxyanilino]pyrimidin-2-yl]amino]-3-methylphenoxy]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)OCC(=O)OC(C)C)NC2=NC=C(C(=N2)NC3=C(C=C(C=C3)OC)NS(=O)(=O)C)Cl

DOS

IR

Vibrations