Geometry & MOs

Info

ID:	322624
PubChem CID:	126670671
Reduced:	ClN2O3C6H15 (1)
Stoich.:	AB2C3D6E15 (1)
Weight, g/mol:	673.337653
ΔH_f, kcal/mol:	-118.09
Dipole, Da:	4.75
IP(EA), eV:	-9.47(0.26)
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-phenoxy-4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate

Drug info:

PubChemData

Smile

COC(CN)OCCOCNCl

DOS

IR

Vibrations