Geometry & MOs

Info

ID:	64968
PubChem CID:	29204268
Reduced:	NOC9H10 (2)
Stoich.:	ABC9D10 (2)
Weight, g/mol:	378.136176
ΔH_f, kcal/mol:	-48.04
Dipole, Da:	1.41
IP(EA), eV:	-9.44(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4R)-4-methyl-2-oxo-6-[[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)CCC(=O)NCC2=CN=CC=C2)C

DOS

IR

Vibrations