Geometry & MOs

Info

ID:	228788
PubChem CID:	87565785
Reduced:	SN3O3C16H23 (1)
Stoich.:	AB3C3D16E23 (1)
Weight, g/mol:	471.346092
ΔH_f, kcal/mol:	-97.84
Dipole, Da:	2.36
IP(EA), eV:	-8.9(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-tert-butyl-4-hydroxy-N-[(3S)-1-[(1S,2R,4R)-4-[methyl(propan-2-yl)amino]-2-propylcyclohexyl]-2-oxopyrrolidin-3-yl]benzamide

Drug info:

PubChemData

Smile

CCOC(=O)CCN1C=CC(=N1)/C=C/2\CNCC[C@H]2SC(=O)C

DOS

IR

Vibrations