Geometry & MOs

Info

ID:	204715
PubChem CID:	79999817
Reduced:	NSO4C15H21 (1)
Stoich.:	ABC4D15E21 (1)
Weight, g/mol:	310.135114
ΔH_f, kcal/mol:	-149.38
Dipole, Da:	7.09
IP(EA), eV:	-9.5(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[5-[3-(dimethylamino)propyl-methylcarbamoyl]-3-methylthiophen-2-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CCN(CCOCC)C(=O)C1=CC(=C(S1)/C=C/C(=O)O)C

DOS

IR

Vibrations