Geometry & MOs

Info

ID:	168235
PubChem CID:	74939193
Reduced:	SO2N3H14C16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	472.176013
ΔH_f, kcal/mol:	40.05
Dipole, Da:	20.84
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.034228
Charge, e:	-1

Chem-info

IUPAC name:

[1-(2-methoxyethyl)-4,5-dioxo-2-(3-phenoxyphenyl)pyrrolidin-3-ylidene]-(4-methoxy-2-methylphenyl)methanolate

Drug info:

PubChemData

Smile

CCCN1C=C(C2=CC=CC=C21)C=C3C(=O)NC(=S)N=C3[O-]

DOS

IR

Vibrations