Geometry & MOs

Info

ID:	192349
PubChem CID:	78258732
Reduced:	SO2N5C32H35 (1)
Stoich.:	AB2C5D32E35 (1)
Weight, g/mol:	366.097762
ΔH_f, kcal/mol:	18.43
Dipole, Da:	4.9
IP(EA), eV:	-8.78(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-[[1-(furan-2-ylmethyl)-4-methoxycarbonyl-5-methyl-2-oxopyrrol-3-ylidene]methyl]benzoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2C3NN=C(N3C4CCCCC4C2=O)SCC(=O)N(C)C(C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations