Geometry & MOs

Info

ID:

297161

PubChem CID:

117611069

Reduced:

ClOSN2H21C29 (1)

Stoich.:

ABCD2E21F29 (1)

Weight, g/mol:

435.136511

ΔHf, kcal/mol:

118.91

Dipole, Da:

4.76

IP(EA), eV:

 -9.44(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-oxo-N-[4-[(prop-2-enoylamino)methyl]-1,3-thiazol-2-yl]spiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carboxamide

Drug info:

PubChemData

Smile

C1CC(C1)/C(=C(/C2=CC=C(C=C2)C=O)\C3=CC=C(C=C3)C4=CN=CS4)/C5=C(C=C(C=C5)C#N)Cl

DOS

IR

Vibrations