Geometry & MOs

Info

ID:	244771
PubChem CID:	99381446
Reduced:	ClO2S2N3C15H16 (1)
Stoich.:	AB2C2D3E15F16 (1)
Weight, g/mol:	411.190654
ΔH_f, kcal/mol:	-36.42
Dipole, Da:	3.61
IP(EA), eV:	-9.32(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN([C@@H](C1)CC(=O)N)C(=O)C2=CSC(=N2)C3=CC=C(S3)Cl

DOS

IR

Vibrations