Geometry & MOs

Info

ID:	26642
PubChem CID:	794413
Reduced:	NSO2C15H23 (1)
Stoich.:	ABC2D15E23 (1)
Weight, g/mol:	306.067428
ΔH_f, kcal/mol:	-93.23
Dipole, Da:	7.62
IP(EA), eV:	-9.09(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[(4S)-5-cyano-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate

Drug info:

PubChemData

Smile

CC[C@H]1CCCCN1S(=O)(=O)C2=CC(=C(C=C2)C)C

DOS

IR

Vibrations