Geometry & MOs

Info

ID:	137526
PubChem CID:	52220180
Reduced:	SN3O3H17C20 (1)
Stoich.:	AB3C3D17E20 (1)
Weight, g/mol:	345.151098
ΔH_f, kcal/mol:	-35.79
Dipole, Da:	5.55
IP(EA), eV:	-8.82(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-benzyl-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]butanamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)NC(=O)C2=CC(=CC=C2)NC(=O)[C@@H]3CC4=CC=CC=C4O3

DOS

IR

Vibrations