Geometry & MOs

Info

ID:

67953

PubChem CID:

46507500

Reduced:

S2O3N4H28C29 (1)

Stoich.:

A2B3C4D28E29 (1)

Weight, g/mol:

500.024696

ΔHf, kcal/mol:

-31.12

Dipole, Da:

6.69

IP(EA), eV:

 -8.59(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3,4-difluorophenyl)-2-[[6-oxo-5-(thiophen-2-ylmethyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-4-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)NC(=O)CSC2=NC3=C(C(=O)N2CC4=CC=C(C=C4)C(C)C)SC5=C3C=CC=N5

DOS

IR

Vibrations