Geometry & MOs

Info

ID:

121496

PubChem CID:

50770920

Reduced:

ClO2S2N4H19C25 (1)

Stoich.:

AB2C2D4E19F25 (1)

Weight, g/mol:

458.063796

ΔHf, kcal/mol:

19.88

Dipole, Da:

4.67

IP(EA), eV:

 -8.77(-1.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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]-N-propan-2-ylacetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)CSC2=NC3=C(C(=O)N2CC4=CC=CC=C4Cl)SC5=C3C=CC=N5

DOS

IR

Vibrations