Geometry & MOs

Info

ID:	261761
PubChem CID:	103249713
Reduced:	NSO2C13H21 (1)
Stoich.:	ABC2D13E21 (1)
Weight, g/mol:	225.08235
ΔH_f, kcal/mol:	-83.22
Dipole, Da:	2.65
IP(EA), eV:	-8.99(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-methyl-4-(1-thiophen-3-ylethylamino)but-2-enoic acid

Drug info:

PubChemData

Smile

CCCCC(C(=O)OC)NC(C)C1=CSC=C1

DOS

IR

Vibrations