Geometry & MOs

Info

ID:	243978
PubChem CID:	99303087
Reduced:	Cl2N3O3C21H29 (1)
Stoich.:	A2B3C3D21E29 (1)
Weight, g/mol:	441.158597
ΔH_f, kcal/mol:	-167.12
Dipole, Da:	4.97
IP(EA), eV:	-9.52(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[(2S)-2-[(2,4-dichlorobenzoyl)amino]-3-methylbutanoyl]-N-propylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)[C@@H]1CCCN(C1)C(=O)[C@@H](C(C)C)NC(=O)C2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations