Geometry & MOs

Info

ID:	29804
PubChem CID:	837439
Reduced:	SN2O2C18H18 (1)
Stoich.:	AB2C2D18E18 (1)
Weight, g/mol:	261.111341
ΔH_f, kcal/mol:	-24.02
Dipole, Da:	2.7
IP(EA), eV:	-8.9(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4S)-6-methyl-2-oxo-4-pyridin-4-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)SC(=N2)NC(=O)[C@H](C)OC3=CC=CC=C3C

DOS

IR

Vibrations