Geometry & MOs

Info

ID:

122250

PubChem CID:

50799599

Reduced:

O2F3N4H21C24 (1)

Stoich.:

A2B3C4D21E24 (1)

Weight, g/mol:

500.118812

ΔHf, kcal/mol:

-129.73

Dipole, Da:

0.83

IP(EA), eV:

 -9.55(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[[2-[(11-acetyl-4-benzyl-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl)sulfanyl]acetyl]amino]acetate

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)NC(=O)COC2=NC3=C(C(=C2)C(F)(F)F)C(=NN3C)C4=CC=CC=C4

DOS

IR

Vibrations