Geometry & MOs

Info

ID:	13645
PubChem CID:	396492
Reduced:	SN3O5C14H21 (1)
Stoich.:	AB3C5D14E21 (1)
Weight, g/mol:	343.120192
ΔH_f, kcal/mol:	-211.18
Dipole, Da:	4.29
IP(EA), eV:	-9.57(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-2-[(4-methylphenyl)sulfonylcarbamoylamino]hexanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC(CCCCN)C(=O)O

DOS

IR

Vibrations