Geometry & MOs

Info

ID:

123113

PubChem CID:

50833680

Reduced:

SN5O5C24H27 (1)

Stoich.:

AB5C5D24E27 (1)

Weight, g/mol:

438.136176

ΔHf, kcal/mol:

-152.68

Dipole, Da:

11.14

IP(EA), eV:

 -9.06(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2,5-dimethoxyphenyl)-2-(4,11,13-trimethyl-6-oxo-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-5-yl)acetamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=CC=C1)NC(=O)CN2C3=C(C(=O)N(C2=O)CC=C)SC(=N3)N4CCCCC4

DOS

IR

Vibrations