Geometry & MOs

Info

ID:

300540

PubChem CID:

121360460

Reduced:

IPN3O7C33H37 (1)

Stoich.:

ABC3D7E33F37 (1)

Weight, g/mol:

619.244738

ΔHf, kcal/mol:

-315.67

Dipole, Da:

12.82

IP(EA), eV:

 -8.53(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[(E)-4-[[(2S)-1-[2-(diphenylcarbamoyl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-4-oxobut-2-en-2-yl]phenyl] dihydrogen phosphate

Drug info:

PubChemData

Smile

C/C(=C\C(=O)N[C@H](C(=O)N1CCCC1C(=O)N(C2=CC=CC=C2)C3=CC=C(C=C3)I)C(C)(C)C)/C4=CC=C(C=C4)OP(=O)(O)O

DOS

IR

Vibrations