Geometry & MOs

Info

ID:	52537
PubChem CID:	12015439
Reduced:	BrS2N4O4H19C20 (1)
Stoich.:	AB2C4D4E19F20 (1)
Weight, g/mol:	366.045647
ΔH_f, kcal/mol:	-79.12
Dipole, Da:	2.36
IP(EA), eV:	-9.16(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6,9-dioxo-4,17-dithia-2,7,8,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,11(16)-triene-14-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)N1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)C4=CC=C(C=C4)Br)N

DOS

IR

Vibrations