Geometry & MOs

Info

ID:	183325
PubChem CID:	77007763
Reduced:	NSO4C14H17 (1)
Stoich.:	ABC4D14E17 (1)
Weight, g/mol:	310.098728
ΔH_f, kcal/mol:	-105.2
Dipole, Da:	8.52
IP(EA), eV:	-9.49(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[[3-oxo-3-(propylamino)propyl]carbamoyl]thiophen-3-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

COCCN(C1CC1)C(=O)C2=C(C=CS2)C=CC(=O)O

DOS

IR

Vibrations