Geometry & MOs

Info

ID:

223016

PubChem CID:

85333959

Reduced:

FSO2N8C20H24 (2)

Stoich.:

ABC2D8E20F24 (2)

Weight, g/mol:

919.587968

ΔHf, kcal/mol:

-50.99

Dipole, Da:

11.22

IP(EA), eV:

 -8.87(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-amino-N-[1-[[1-[[1-[[1-[[1-amino-3-(4-fluorophenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(2-aminopropanoylamino)hexanamide

Drug info:

PubChemData

Smile

C1C2CN(C1CN2C(=NC(=NCCCCCCN=C(N)N=C(N)N3CC4CC3CN4C5=C(C=C6C(=C5)NC7C(C6=O)C(=O)NS7)F)N)N)C8=C(C=C9C(=C8)NC1C(C9=O)C(=O)NS1)F

DOS

IR

Vibrations