Geometry & MOs

Info

ID:

317892

PubChem CID:

126647222

Reduced:

N5O5C29H35 (1)

Stoich.:

A5B5C29D35 (1)

Weight, g/mol:

617.288116

ΔHf, kcal/mol:

-102.04

Dipole, Da:

7.22

IP(EA), eV:

 -9.27(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1CCC[C@H]1C2=NC=C(N2)C3=CC(=C(C=C3)[N+](=O)[O-])C4=CC(=CC=C4)C(C)(C)C)NC(=O)O

DOS

IR

Vibrations