Geometry & MOs

Info

ID:	353045
PubChem CID:	127284195
Reduced:	SN3O5C18H25 (1)
Stoich.:	AB3C5D18E25 (1)
Weight, g/mol:	374.170253
ΔH_f, kcal/mol:	-203.62
Dipole, Da:	5.34
IP(EA), eV:	-9.21(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-acetylpiperazin-1-yl)ethyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CCCS(=O)(=O)N1CCC(CC1)NC(=O)C2=C3C(=CC=C2)NC(=O)C(O3)C

DOS

IR

Vibrations