Geometry & MOs

Info

ID:	364059
PubChem CID:	127313730
Reduced:	N2S2O4C17H26 (1)
Stoich.:	A2B2C4D17E26 (1)
Weight, g/mol:	304.117155
ΔH_f, kcal/mol:	-145.88
Dipole, Da:	3.87
IP(EA), eV:	-9.75(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(COC1)CNC(=O)C2=C(C=CS2)S(=O)(=O)NC3CCCCCC3

DOS

IR

Vibrations