Geometry & MOs

Info

ID:

186229

PubChem CID:

77405580

Reduced:

FON4C15H23 (1)

Stoich.:

ABC4D15E23 (1)

Weight, g/mol:

717.421383

ΔHf, kcal/mol:

-64.49

Dipole, Da:

3.92

IP(EA), eV:

 -8.45(0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-cyclopropyl-2,3-dioxo-3-(prop-2-enylamino)propyl]-3-[2-(2,3-dihydro-1H-inden-2-yl)-2-[[3,3-dimethyl-1-(2-oxo-1,3-diazinan-1-yl)butan-2-yl]carbamoylamino]acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C(=O)N(C)C(=C)N)C(C)(C1=C(C=CC(=C1)N)F)N

DOS

IR

Vibrations