Geometry & MOs

Info

ID:	64785
PubChem CID:	29203997
Reduced:	ClON3C21H22 (1)
Stoich.:	ABC3D21E22 (1)
Weight, g/mol:	343.156577
ΔH_f, kcal/mol:	17.58
Dipole, Da:	4.46
IP(EA), eV:	-9.03(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCNC(=O)CC1=CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3

DOS

IR

Vibrations