Geometry & MOs

Info

ID:	404816
PubChem CID:	135071222
Reduced:	O3C14H26 (1)
Stoich.:	A3B14C26 (1)
Weight, g/mol:	311.093977
ΔH_f, kcal/mol:	-187.76
Dipole, Da:	5.32
IP(EA), eV:	-10.3(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-cyano-4-methylpentan-2-yl]-4-nitrobenzenesulfonamide

Drug info:

PubChemData

Smile

CC(CCCC(C)(C)O)CC1CCCOC1=O

DOS

IR

Vibrations