Geometry & MOs

Info

ID:	391468
PubChem CID:	135005523
Reduced:	NO3C17H27 (1)
Stoich.:	AB3C17D27 (1)
Weight, g/mol:	376.109293
ΔH_f, kcal/mol:	-158.58
Dipole, Da:	4.98
IP(EA), eV:	-9.51(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[(4R)-5-nitro-2-oxo-4-phenylpentyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CCCC[C@@H]1C[C@@H](C(C=C1)N2CCCC2=O)C(=O)OCC

DOS

IR

Vibrations