Geometry & MOs

Info

ID:

219459

PubChem CID:

85148703

Reduced:

FSN3O4C27H30 (1)

Stoich.:

ABC3D4E27F30 (1)

Weight, g/mol:

511.323065

ΔHf, kcal/mol:

-121.34

Dipole, Da:

11.81

IP(EA), eV:

 -8.19(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

cyclohexylmethyl N-[5-(diaminomethylideneamino)-1-[[2-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1CC1CN2C(=C(C3=CN=NC(=C32)OCC4=CC=C(C=C4)F)C)C.CC1=CC=C(C=C1)S(=O)(=O)O

DOS

IR

Vibrations