Geometry & MOs

Info

ID:	86868
PubChem CID:	49889834
Reduced:	FSN2O4H21C26 (1)
Stoich.:	ABC2D4E21F26 (1)
Weight, g/mol:	522.0897
ΔH_f, kcal/mol:	-127.04
Dipole, Da:	3.84
IP(EA), eV:	-8.95(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-ethoxy-4-[(Z)-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 3-nitrobenzoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)COC2=CC=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)F

DOS

IR

Vibrations