Geometry & MOs

Info

ID:	204685
PubChem CID:	79996898
Reduced:	BrOSN2C12H17 (1)
Stoich.:	ABCD2E12F17 (1)
Weight, g/mol:	295.124215
ΔH_f, kcal/mol:	-19.41
Dipole, Da:	4.63
IP(EA), eV:	-9.21(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C(=O)N2CCNCC2(C)C)Br

DOS

IR

Vibrations