Geometry & MOs

Info

ID:

122253

PubChem CID:

50799710

Reduced:

S2N4O5H24C25 (1)

Stoich.:

A2B4C5D24E25 (1)

Weight, g/mol:

538.090011

ΔHf, kcal/mol:

-114.43

Dipole, Da:

7.2

IP(EA), eV:

 -8.56(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(11-acetyl-4-benzyl-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]-N-(4-chlorophenyl)acetamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)NC4=CC=C(C=C4)OC)CC5=CC=CO5

DOS

IR

Vibrations