Geometry & MOs

Info

ID:	244773
PubChem CID:	99381448
Reduced:	O4N5C21H25 (1)
Stoich.:	A4B5C21D25 (1)
Weight, g/mol:	411.190654
ΔH_f, kcal/mol:	-63.14
Dipole, Da:	8.75
IP(EA), eV:	-8.94(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-1-[3-nitro-4-[[(1S)-1-pyridin-2-ylethyl]amino]benzoyl]piperidin-2-yl]acetamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=N1)NC2=C(C=C(C=C2)C(=O)N3CCCC[C@@H]3CC(=O)N)[N+](=O)[O-]

DOS

IR

Vibrations