Geometry & MOs

Info

ID:	300539
PubChem CID:	121360457
Reduced:	NPO5C12H22 (1)
Stoich.:	ABC5D12E22 (1)
Weight, g/mol:	745.14138
ΔH_f, kcal/mol:	-178.38
Dipole, Da:	4.61
IP(EA), eV:	-7.99(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(E)-4-[[(2S)-1-[2-[(4-iodophenyl)-phenylcarbamoyl]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=P#CNC(COC1CCC(CC1)OCC(O)O)O

DOS

IR

Vibrations