Geometry & MOs

Info

ID:

449042

PubChem CID:

135295479

Reduced:

SN2O2C14H30 (1)

Stoich.:

AB2C2D14E30 (1)

Weight, g/mol:

456.281301

ΔHf, kcal/mol:

-138.77

Dipole, Da:

1.29

IP(EA), eV:

 -8.54(0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,4S)-N'-[4-[[amino-[(6S)-5-azaspiro[2.4]heptan-6-yl]methylidene]amino]-5,5-difluoro-2,3-bis[(Z)-prop-1-enyl]cyclopenta-1,3-dien-1-yl]-2-azabicyclo[2.2.1]heptane-3-carboximidamide

Drug info:

PubChemData

Smile

CCCN(CC)CS[C@@H](C)N(C)C(=O)OC(C)(C)C

DOS

IR

Vibrations