Geometry & MOs

Info

ID:	277828
PubChem CID:	103831127
Reduced:	SN2O3C15H24 (1)
Stoich.:	AB2C3D15E24 (1)
Weight, g/mol:	291.194677
ΔH_f, kcal/mol:	-133.96
Dipole, Da:	5.42
IP(EA), eV:	-9.92(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-(3-amino-3-oxopropyl)-N-benzylhexanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations