Geometry & MOs

Info

ID:	322642
PubChem CID:	126670713
Reduced:	O2C3H5 (2)
Stoich.:	A2B3C5 (2)
Weight, g/mol:	629.311438
ΔH_f, kcal/mol:	-167.71
Dipole, Da:	2.25
IP(EA), eV:	-9.72(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[5-[3-phenyl-4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]buta-1,3-diynyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C(=C)O)OC(=O)CO

DOS

IR

Vibrations