Geometry & MOs

Info

ID:

297166

PubChem CID:

117611349

Reduced:

SN2O2C10H12 (2)

Stoich.:

AB2C2D10E12 (2)

Weight, g/mol:

470.195405

ΔHf, kcal/mol:

-116.58

Dipole, Da:

6.49

IP(EA), eV:

 -8.3(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-methyl-4-prop-2-enoyl-2,3-dihydro-1,4-benzoxazin-6-yl)-1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CNC2=C(C(=O)N1)SC3=C2C=C(C=C3)C(=O)N[C@@H]4CCCN(C4)S(=O)(=O)C=C

DOS

IR

Vibrations