Geometry & MOs

Info

ID:	348810
PubChem CID:	127274458
Reduced:	SN2O4C17H22 (1)
Stoich.:	AB2C4D17E22 (1)
Weight, g/mol:	388.120526
ΔH_f, kcal/mol:	-151.09
Dipole, Da:	6.6
IP(EA), eV:	-8.46(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]-2,4-dioxopyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCSCC2)NC(=O)C3COCCO3

DOS

IR

Vibrations