Geometry & MOs

Info

ID:	195790
PubChem CID:	78732382
Reduced:	N2O4C21H22 (1)
Stoich.:	A2B4C21D22 (1)
Weight, g/mol:	382.152872
ΔH_f, kcal/mol:	-112.07
Dipole, Da:	5.14
IP(EA), eV:	-8.66(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[5-[3-oxo-3-[3-(2-oxopyrrolidin-1-yl)anilino]prop-1-enyl]furan-2-yl]propanoate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C=CC(=O)NC2=CC(=CC=C2)N3CCCC3=O)OC

DOS

IR

Vibrations