Geometry & MOs

Info

ID:	366479
PubChem CID:	127319976
Reduced:	SO2N3C21H25 (1)
Stoich.:	AB2C3D21E25 (1)
Weight, g/mol:	388.222289
ΔH_f, kcal/mol:	-48.73
Dipole, Da:	5.38
IP(EA), eV:	-8.66(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)CCNC(=O)C2=CC3=C(S2)C4=CC=CC=C4CC3

DOS

IR

Vibrations