Geometry & MOs

Info

ID:	125203
PubChem CID:	50914908
Reduced:	P3C8O11H19 (1)
Stoich.:	A3B8C11D19 (1)
Weight, g/mol:	608.289974
ΔH_f, kcal/mol:	-699.94
Dipole, Da:	5.4
IP(EA), eV:	-10.16(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-1-[(2S)-2-[5-[2-[4-[2-[(2S)-1-(2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]ethynyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCCOP(=O)(O)OP(=O)(O)OP(=O)(O)OC/C=C(\C)/CO

DOS

IR

Vibrations