Geometry & MOs

Info

ID:	261803
PubChem CID:	103252229
Reduced:	NSO2C12H19 (1)
Stoich.:	ABC2D12E19 (1)
Weight, g/mol:	225.08235
ΔH_f, kcal/mol:	-89.74
Dipole, Da:	4.98
IP(EA), eV:	-8.85(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-[(4,5-dimethylthiophen-2-yl)methylamino]prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)CNCCCCC(=O)O)C

DOS

IR

Vibrations