Geometry & MOs

Info

ID:	142151
PubChem CID:	52991373
Reduced:	O2N4C15H18 (1)
Stoich.:	A2B4C15D18 (1)
Weight, g/mol:	387.136511
ΔH_f, kcal/mol:	-12.86
Dipole, Da:	4.87
IP(EA), eV:	-8.86(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-N-(3-methyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-ylidene)-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CC1C(NNC1NC(=O)C2=C(C=CO2)C)C3=CC=NC=C3

DOS

IR

Vibrations