Geometry & MOs

Info

ID:

121500

PubChem CID:

50770955

Reduced:

O2S2N4H22C23 (1)

Stoich.:

A2B2C4D22E23 (1)

Weight, g/mol:

482.144633

ΔHf, kcal/mol:

-7.11

Dipole, Da:

4.93

IP(EA), eV:

 -8.7(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[6-oxo-5-[(4-propoxyphenyl)methyl]-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-4-yl]sulfanyl]-N-propan-2-ylacetamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)CSC2=NC3=C(C(=O)N2CC4=CC=CC=C4)SC5=C3C=CC=N5

DOS

IR

Vibrations