Geometry & MOs

Info

ID:	88376
PubChem CID:	49903093
Reduced:	BrNSO4H18C25 (1)
Stoich.:	ABCD4E18F25 (1)
Weight, g/mol:	696.88223
ΔH_f, kcal/mol:	-74.31
Dipole, Da:	6.17
IP(EA), eV:	-9.54(-1.14)
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-ethoxy-6-iodophenyl] 4-chlorobenzoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)OC2=CC=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Br

DOS

IR

Vibrations