Geometry & MOs

Info

ID:

163101

PubChem CID:

57641279

Reduced:

Cl2O3N5H15C18 (1)

Stoich.:

A2B3C5D15E18 (1)

Weight, g/mol:

569.148426

ΔHf, kcal/mol:

-17.06

Dipole, Da:

2.97

IP(EA), eV:

 -9.69(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl 4-(2,4-dichlorophenyl)-2-methyl-6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-5-oxo-7H-pyrrolo[3,4-b]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=C2C(=N1)CN(C2=O)CC(=O)OC)C3=C(C=C(C=C3)Cl)Cl)CN=[N+]=[N-]

DOS

IR

Vibrations