Geometry & MOs

Info

ID:	65048
PubChem CID:	29204394
Reduced:	SN3O6C22H29 (1)
Stoich.:	AB3C6D22E29 (1)
Weight, g/mol:	463.177707
ΔH_f, kcal/mol:	-260.88
Dipole, Da:	1.47
IP(EA), eV:	-9.36(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4S)-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)CSCC2=C([C@H](NC(=O)N2)C)C(=O)OCC

DOS

IR

Vibrations