Geometry & MOs

Info

ID:	43812
PubChem CID:	10321823
Reduced:	SN2O8C20H28 (1)
Stoich.:	AB2C8D20E28 (1)
Weight, g/mol:	456.146741
ΔH_f, kcal/mol:	-347.85
Dipole, Da:	2.98
IP(EA), eV:	-9.76(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,1-dioxothiazinan-2-yl)-1-methyl-N-(1-naphthalen-1-ylethyl)-5,6-dioxo-4H-pyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](CSC(=O)[C@H](CO)NC(=O)OCC1=CC=CC=C1)C(=O)OC

DOS

IR

Vibrations