Geometry & MOs

Info

ID:	243975
PubChem CID:	99303070
Reduced:	ClN3O3C23H26 (1)
Stoich.:	AB3C3D23E26 (1)
Weight, g/mol:	443.164555
ΔH_f, kcal/mol:	-113.46
Dipole, Da:	6.51
IP(EA), eV:	-9.12(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[(2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methylbutanoyl]-N-propylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)[C@H]1CCCN(C1)C(=O)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations