Geometry & MOs

Info

ID:	238026
PubChem CID:	92728867
Reduced:	SN2O2C20H20 (1)
Stoich.:	AB2C2D20E20 (1)
Weight, g/mol:	401.267842
ΔH_f, kcal/mol:	-21.81
Dipole, Da:	2.88
IP(EA), eV:	-8.93(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]-N-(3-methylbutyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C2C=CC=C(C2=N1)C3=CC=CS3)C(=O)NC[C@@H]4CCCO4

DOS

IR

Vibrations