Geometry & MOs

Info

ID:	174898
PubChem CID:	75826999
Reduced:	OSN3C23H27 (1)
Stoich.:	ABC3D23E27 (1)
Weight, g/mol:	374.093643
ΔH_f, kcal/mol:	6.33
Dipole, Da:	5.32
IP(EA), eV:	-8.88(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(N(CC1)C(=O)CCCCC2=NC3=CC=CC=C3S2)C4=CC=NC=C4

DOS

IR

Vibrations