Geometry & MOs

Info

ID:	311955
PubChem CID:	126599437
Reduced:	N2O5C7H10 (1)
Stoich.:	A2B5C7D10 (1)
Weight, g/mol:	500.289974
ΔH_f, kcal/mol:	-199.27
Dipole, Da:	0.97
IP(EA), eV:	-10.82(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-2-[5-[(E)-2-[4-[(E)-2-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]ethenyl]phenyl]ethenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

COC(=O)/N=C/C(CC(=O)N)C(=O)O

DOS

IR

Vibrations