Geometry & MOs

Info

ID:

185528

PubChem CID:

77310495

Reduced:

O6N12C23H30 (1)

Stoich.:

A6B12C23D30 (1)

Weight, g/mol:

721.155657

ΔHf, kcal/mol:

-101.79

Dipole, Da:

7.32

IP(EA), eV:

 -8.65(-1.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]-1-[5-chloro-4-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-yl]-2-fluorophenoxy]butan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CN(C)C(=N)N=C(N)N.C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=NC3C(=NC(=NC3=O)N)N=C2

DOS

IR

Vibrations