Geometry & MOs

Info

ID:	88286
PubChem CID:	49902743
Reduced:	BrNSO4H24C28 (1)
Stoich.:	ABCD4E24F28 (1)
Weight, g/mol:	540.99948
ΔH_f, kcal/mol:	-53.53
Dipole, Da:	3.1
IP(EA), eV:	-8.78(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(Z)-[3-[(4-bromophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenyl] 3-fluorobenzoate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OCC2=CC=CC=C2)CC=C)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Br

DOS

IR

Vibrations