Geometry & MOs

Info

ID:	166659
PubChem CID:	74723091
Reduced:	N3O7C24H28 (1)
Stoich.:	A3B7C24D28 (1)
Weight, g/mol:	479.127683
ΔH_f, kcal/mol:	-202.01
Dipole, Da:	7.19
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.766851
Charge, e:	-1

Chem-info

IUPAC name:

[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-hydroxy-3-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene]-(4-ethoxyphenyl)methanolate

Drug info:

PubChemData

Smile

CC1=C(NC(=C1C(=C2C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC=CO4)[O-])C)C(=O)OC

DOS

IR

Vibrations