Geometry & MOs

Info

ID:	324456
PubChem CID:	126677705
Reduced:	ClO3N5C21H36 (1)
Stoich.:	AB3C5D21E36 (1)
Weight, g/mol:	354.09166
ΔH_f, kcal/mol:	-162.75
Dipole, Da:	0.98
IP(EA), eV:	-9.31(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2,6-diamino-N-(1-iodopiperidin-4-yl)hexanamide

Drug info:

PubChemData

Smile

CC(C)C[C@@H](CNC(=O)N[C@@H](CCCCNC(=O)OCC1=CC=CC=C1Cl)CN)N

DOS

IR

Vibrations