Geometry & MOs

Info

ID:	174899
PubChem CID:	75827342
Reduced:	SN2O5C18H18 (1)
Stoich.:	AB2C5D18E18 (1)
Weight, g/mol:	372.150764
ΔH_f, kcal/mol:	-127.77
Dipole, Da:	3.03
IP(EA), eV:	-8.99(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-[[3-cyano-6-oxo-4-(4-propan-2-ylphenyl)-4,5-dihydro-3H-pyridin-2-yl]sulfanyl]acetate

Drug info:

PubChemData

Smile

CCCOC(=O)CSC1=NC(=O)CC(C1C#N)C2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations