Geometry & MOs

Info

ID:	36074
PubChem CID:	7980730
Reduced:	SN2O3H20C24 (1)
Stoich.:	AB2C3D20E24 (1)
Weight, g/mol:	382.152872
ΔH_f, kcal/mol:	-38.3
Dipole, Da:	4.2
IP(EA), eV:	-8.57(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4S)-4-ethyl-6-(naphthalene-2-carbonyloxymethyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CC2=NC(=CS2)COC(=O)C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations