Geometry & MOs

Info

ID:	88150
PubChem CID:	49901880
Reduced:	BrNSF2O4H16C20 (1)
Stoich.:	ABCD2E4F16G20 (1)
Weight, g/mol:	755.90965
ΔH_f, kcal/mol:	-204.95
Dipole, Da:	2.46
IP(EA), eV:	-9.27(-1.32)
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-acetamidobenzenesulfonate

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Br)OC(F)F

DOS

IR

Vibrations