Geometry & MOs

Info

ID:	309136
PubChem CID:	126538261
Reduced:	NSH17C25 (1)
Stoich.:	ABC17D25 (1)
Weight, g/mol:	507.15764
ΔH_f, kcal/mol:	102.9
Dipole, Da:	3.25
IP(EA), eV:	-7.97(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[3-cyclopropyl-8-methyl-5-(4-methylanilino)-2,4,7-trioxopyrido[2,3-d]pyrimidin-1-yl]phenyl]methanesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C3=C(C4=CC=CC=C42)C5=C(C=C3)SC6=CC=CC=C65

DOS

IR

Vibrations