Geometry & MOs

Info

ID:	277807
PubChem CID:	103831045
Reduced:	SN3O3C14H23 (1)
Stoich.:	AB3C3D14E23 (1)
Weight, g/mol:	276.220164
ΔH_f, kcal/mol:	-124.77
Dipole, Da:	5.82
IP(EA), eV:	-8.98(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-benzyl-N-butan-2-ylhexanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations