Geometry & MOs

Info

ID:

121497

PubChem CID:

50770921

Reduced:

ClO2S2N4H19C21 (1)

Stoich.:

AB2C2D4E19F21 (1)

Weight, g/mol:

472.079446

ΔHf, kcal/mol:

-14.26

Dipole, Da:

2.2

IP(EA), eV:

 -8.78(-1.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-tert-butyl-2-[[5-[(2-chlorophenyl)methyl]-6-oxo-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

CC(C)NC(=O)CSC1=NC2=C(C(=O)N1CC3=CC=CC=C3Cl)SC4=C2C=CC=N4

DOS

IR

Vibrations