Geometry & MOs

Info

ID:

190806

PubChem CID:

78059543

Reduced:

FSN2O3H13C17 (1)

Stoich.:

ABC2D3E13F17 (1)

Weight, g/mol:

695.437033

ΔHf, kcal/mol:

-61.21

Dipole, Da:

7.55

IP(EA), eV:

 -10.02(-2.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-cyclohexyl-2-[[1-[[1-cyclopentyl-2-[[1-(cyclopropylamino)-1,2-dioxohexan-3-yl]amino]-2-oxoethyl]-ethylamino]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)S(=O)(=O)N=C2C=CC3=NC(=O)C(=CC3=C2)C)F

DOS

IR

Vibrations