Geometry & MOs

Info

ID:	65047
PubChem CID:	29204393
Reduced:	N2S2O7C22H28 (1)
Stoich.:	A2B2C7D22E28 (1)
Weight, g/mol:	463.177707
ΔH_f, kcal/mol:	-267.65
Dipole, Da:	5.56
IP(EA), eV:	-9.25(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)[C@H](CCS(=O)(=O)C)NS(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations