Geometry & MOs

Info

ID:	273748
PubChem CID:	103799514
Reduced:	ClN2O5C12H15 (1)
Stoich.:	AB2C5D12E15 (1)
Weight, g/mol:	308.140593
ΔH_f, kcal/mol:	-121.53
Dipole, Da:	4.0
IP(EA), eV:	-10.22(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxy-1-methoxybutan-2-yl)-1-methylsulfonylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

COCC(CCO)NC(=O)C1=C(C=C(C=C1)Cl)[N+](=O)[O-]

DOS

IR

Vibrations