Geometry & MOs

Info

ID:

322340

PubChem CID:

126669839

Reduced:

N5O6C26H29 (1)

Stoich.:

A5B6C26D29 (1)

Weight, g/mol:

535.243084

ΔHf, kcal/mol:

-106.75

Dipole, Da:

6.13

IP(EA), eV:

 -9.48(-1.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[(2S)-3-methyl-1-[(2S)-2-[5-[4-nitro-3-[(1R)-1-phenylethoxy]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamate

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-])OC4=CC=CC=C4)NC(=O)OC

DOS

IR

Vibrations