Geometry & MOs

Info

ID:	186711
PubChem CID:	77472008
Reduced:	SO2H16C18 (1)
Stoich.:	AB2C16D18 (1)
Weight, g/mol:	666.14852
ΔH_f, kcal/mol:	-8.55
Dipole, Da:	2.56
IP(EA), eV:	-8.73(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-iodo-2-[2-methoxy-4-(1-methylpyrrolidin-3-yl)oxyanilino]pyrimidin-4-yl]amino]-N-pentan-3-ylbenzenesulfonamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C=CC2=CC3=CC=CC=C3S2)OC

DOS

IR

Vibrations