Geometry & MOs

Info

ID:	223526
PubChem CID:	85335178
Reduced:	SCl2O2N4C17H18 (1)
Stoich.:	AB2C2D4E17F18 (1)
Weight, g/mol:	413.183838
ΔH_f, kcal/mol:	-22.12
Dipole, Da:	5.31
IP(EA), eV:	-8.83(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-ethylidene-11-[5-(2-methoxy-2-oxoethylidene)-2-oxopyrrolidin-3-yl]-4,10-dimethyl-11-oxoundeca-3,5,7,9-tetraenoate

Drug info:

PubChemData

Smile

CN1CCC(C1)N(C)C(=O)C=C2C(=O)N=C(S2)NC3=C(C=CC=C3Cl)Cl

DOS

IR

Vibrations