Geometry & MOs

Info

ID:	64632
PubChem CID:	29203577
Reduced:	N2O3C20H20 (1)
Stoich.:	A2B3C20D20 (1)
Weight, g/mol:	431.047333
ΔH_f, kcal/mol:	-39.61
Dipole, Da:	5.5
IP(EA), eV:	-8.79(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C/C=C/C1=CC(=C(C=C1)O[C@@H](C)C(=O)NC2=CC=CC(=C2)C#N)OC

DOS

IR

Vibrations