Geometry & MOs

Info

ID:	182251
PubChem CID:	76864864
Reduced:	SN2O3C14H18 (1)
Stoich.:	AB2C3D14E18 (1)
Weight, g/mol:	211.120843
ΔH_f, kcal/mol:	-105.55
Dipole, Da:	10.04
IP(EA), eV:	-9.51(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[hexa-2,4-dienoyl(propyl)amino]acetic acid

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C=CC(=O)N2CCCCC2CC(=O)O

DOS

IR

Vibrations