Geometry & MOs

Info

ID:

188318

PubChem CID:

77699602

Reduced:

S2N4O8C35H38 (1)

Stoich.:

A2B4C8D35E38 (1)

Weight, g/mol:

486.160473

ΔHf, kcal/mol:

-229.98

Dipole, Da:

4.92

IP(EA), eV:

 -8.78(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[3-chloro-4-[(9-oxo-12-thia-1,3,8-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-5-yl)methyl]piperazin-1-yl]-N-methylbenzamide

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)OC(=O)CCNC(=O)NC(CCCCNC(=O)OCC3=CC=CC=C3)C(=O)N(CC4=CC=CS4)CC5=CC=CS5

DOS

IR

Vibrations