Geometry & MOs

Info

ID:	277855
PubChem CID:	103831294
Reduced:	SN3O3C14H23 (1)
Stoich.:	AB3C3D14E23 (1)
Weight, g/mol:	291.194677
ΔH_f, kcal/mol:	-128.37
Dipole, Da:	5.79
IP(EA), eV:	-8.29(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(2S)-2-aminohexanoyl]amino]-N-propan-2-ylbenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations