Geometry & MOs

Info

ID:	204697
PubChem CID:	79998777
Reduced:	FNSO3H12C15 (1)
Stoich.:	ABCD3E12F15 (1)
Weight, g/mol:	307.124215
ΔH_f, kcal/mol:	-112.23
Dipole, Da:	3.49
IP(EA), eV:	-9.24(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[3-methyl-5-[(2-methylcyclohexyl)carbamoyl]thiophen-2-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C(=O)NC2=CC=CC=C2F)/C=C/C(=O)O

DOS

IR

Vibrations