Geometry & MOs

Info

ID:

185481

PubChem CID:

77302691

Reduced:

O6N9C43H55 (1)

Stoich.:

A6B9C43D55 (1)

Weight, g/mol:

401.177313

ΔHf, kcal/mol:

-187.63

Dipole, Da:

5.92

IP(EA), eV:

 -8.81(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-N-[(4-acetyl-1,3-thiazol-2-yl)methyl]-3-N-(2-methylpropyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide

Drug info:

PubChemData

Smile

CC1CN(C(CN1C(=O)OC(C)(C)C)C)C2=NC=C(C=C2)C(=O)N(C)C3=CN=C(C=C3)C4=CC=C(C=C4)C5=CN=C(N5)C6CCCN6C(=O)C(C(C)C)NC(=O)OC

DOS

IR

Vibrations