Geometry & MOs

Info

ID:	419103
PubChem CID:	135107517
Reduced:	SN3O3C19H23 (1)
Stoich.:	AB3C3D19E23 (1)
Weight, g/mol:	324.183778
ΔH_f, kcal/mol:	-97.42
Dipole, Da:	6.08
IP(EA), eV:	-9.1(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-propan-2-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide

Drug info:

PubChemData

Smile

CCCC1=NC(=C(S1)CNC(=O)CCN2C3=C(C=CC(=C3)C)OC2=O)C

DOS

IR

Vibrations