Geometry & MOs

Info

ID:	204714
PubChem CID:	79999816
Reduced:	SN2O3H14C15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	311.119129
ΔH_f, kcal/mol:	-63.79
Dipole, Da:	0.87
IP(EA), eV:	-9.71(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[5-[2-ethoxyethyl(ethyl)carbamoyl]-3-methylthiophen-2-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C(=O)NC2=C(C=NC=C2)C)/C=C/C(=O)O

DOS

IR

Vibrations