Geometry & MOs

Info

ID:	174609
PubChem CID:	75792195
Reduced:	SO2N3C18H25 (1)
Stoich.:	AB2C3D18E25 (1)
Weight, g/mol:	368.113412
ΔH_f, kcal/mol:	-78.47
Dipole, Da:	4.12
IP(EA), eV:	-8.25(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-(2,5-dimethoxyphenyl)-3-[3-(furan-2-yl)prop-2-enoyl]-1-methyl-5-oxo-2H-pyrrol-4-olate

Drug info:

PubChemData

Smile

CCCN1C(=O)C2=C(N=C1NCC3CCCO3)SC4=C2CCCC4

DOS

IR

Vibrations