Geometry & MOs

Info

ID:

150602

PubChem CID:

53790295

Reduced:

SN2O8C41H62 (1)

Stoich.:

AB2C8D41E62 (1)

Weight, g/mol:

776.383716

ΔHf, kcal/mol:

-381.78

Dipole, Da:

7.64

IP(EA), eV:

 -9.35(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

hexadecyl 4-chloro-3-[[2-[2-(2,2-dimethylbutanoylamino)-4-ethylsulfonylphenoxy]-3-oxobutanoyl]amino]benzoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C(=O)C)OC2=C(C=C(C=C2)S(=O)(=O)CC)NC(=O)C(C)(C)C

DOS

IR

Vibrations