Geometry & MOs

Info

ID:

375711

PubChem CID:

134220906

Reduced:

PN5O8C21H28 (1)

Stoich.:

AB5C8D21E28 (1)

Weight, g/mol:

692.14361

ΔHf, kcal/mol:

-322.45

Dipole, Da:

5.15

IP(EA), eV:

 -8.8(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ditert-butyl [(2S)-2-(3-fluoro-5-iodophenyl)-2-[[2-fluoro-4-[N-methyl-C-(N'-methylcarbamimidoyl)carbonimidoyl]benzoyl]amino]ethyl] phosphate

Drug info:

PubChemData

Smile

CCC(COP(=O)(O)OCC(=O)OCC1=CC=CC=C1)OC(C)N2C=NC3=C2N=C(N=C3OC)N

DOS

IR

Vibrations