Geometry & MOs

Info

ID:	86800
PubChem CID:	49889422
Reduced:	ClSN2O2F3H18C24 (1)
Stoich.:	ABC2D2E3F18G24 (1)
Weight, g/mol:	368.063092
ΔH_f, kcal/mol:	-177.53
Dipole, Da:	8.13
IP(EA), eV:	-8.74(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(Z)-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=CC(=C2)C(F)(F)F)C)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations