Geometry & MOs

Info

ID:	183509
PubChem CID:	77033129
Reduced:	SN2O3C15H22 (1)
Stoich.:	AB2C3D15E22 (1)
Weight, g/mol:	329.085242
ΔH_f, kcal/mol:	-116.86
Dipole, Da:	5.63
IP(EA), eV:	-9.31(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[3-(5-chlorothiophen-2-yl)prop-2-enoylamino]-4-ethylhexanoic acid

Drug info:

PubChemData

Smile

CCC(CCC(=O)O)CCNC(=O)C=CC1=CSC(=N1)C

DOS

IR

Vibrations