Geometry & MOs

Info

ID:	158088
PubChem CID:	56462808
Reduced:	N2S2O4C21H22 (1)
Stoich.:	A2B2C4D21E22 (1)
Weight, g/mol:	499.18894
ΔH_f, kcal/mol:	-80.97
Dipole, Da:	4.14
IP(EA), eV:	-9.17(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-cyclopropyl-N-methyl-1-(2-methylpropyl)-2,4-dioxo-N-[1-(3-sulfamoylphenyl)ethyl]pyrido[2,3-d]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)S(=O)(=O)N)N(C)C(=O)C2=CC(=CC=C2)OCC3=CC=CS3

DOS

IR

Vibrations