Geometry & MOs

Info

ID:	141215
PubChem CID:	52839562
Reduced:	FO2N5C19H26 (1)
Stoich.:	AB2C5D19E26 (1)
Weight, g/mol:	383.151492
ΔH_f, kcal/mol:	-87.26
Dipole, Da:	1.94
IP(EA), eV:	-8.6(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-2-(2-nitro-4-piperidin-1-ylsulfonylanilino)cyclohexan-1-ol

Drug info:

PubChemData

Smile

C[C@H](C1=C(C=CC(=C1)F)N2CCN(CC2)C)NC(=O)C3=NN(C(=O)CC3)C

DOS

IR

Vibrations