Geometry & MOs

Info

ID:	277854
PubChem CID:	103831287
Reduced:	O2N3C16H23 (1)
Stoich.:	A2B3C16D23 (1)
Weight, g/mol:	313.146013
ΔH_f, kcal/mol:	-70.46
Dipole, Da:	5.27
IP(EA), eV:	-8.63(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-[4-(ethylsulfonylamino)phenyl]hexanamide

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)NC1=CC=CC(=C1)NC(=O)C2CC2)N

DOS

IR

Vibrations