Geometry & MOs

Info

ID:	183324
PubChem CID:	77007494
Reduced:	SO4N6C7H8 (1)
Stoich.:	AB4C6D7E8 (1)
Weight, g/mol:	295.087829
ΔH_f, kcal/mol:	-33.91
Dipole, Da:	5.78
IP(EA), eV:	-9.68(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[cyclopropyl(2-methoxyethyl)carbamoyl]thiophen-3-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C1C(C(=O)NC(=O)N1CC2=C(SN=N2)N)[N+](=O)[O-]

DOS

IR

Vibrations