Geometry & MOs

Info

ID:

177038

PubChem CID:

76128100

Reduced:

S2N5O6C32H41 (1)

Stoich.:

A2B5C6D32E41 (1)

Weight, g/mol:

438.169191

ΔHf, kcal/mol:

-234.23

Dipole, Da:

2.03

IP(EA), eV:

 -8.7(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-hydroxy-10-(4-methoxyphenyl)-13-(pyridin-3-ylmethyl)-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,14-pentaen-12-one

Drug info:

PubChemData

Smile

CC(=O)SC(CCCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)NC(CCSC)C(=O)NC(C(=O)NC3=CC=CC=N3)C(C)(C)C

DOS

IR

Vibrations