Geometry & MOs

Info

ID:

122252

PubChem CID:

50799709

Reduced:

SN2O2C9H9 (2)

Stoich.:

AB2C2D9E9 (2)

Weight, g/mol:

524.118812

ΔHf, kcal/mol:

-103.12

Dipole, Da:

4.47

IP(EA), eV:

 -9.06(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[11-acetyl-4-(furan-2-ylmethyl)-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-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)N)CC4=CC=CO4

DOS

IR

Vibrations