Geometry & MOs

Info

ID:

160147

PubChem CID:

57304860

Reduced:

FNOC10H12 (2)

Stoich.:

ABCD10E12 (2)

Weight, g/mol:

623.314141

ΔHf, kcal/mol:

-132.74

Dipole, Da:

6.16

IP(EA), eV:

 -9.15(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-3-[1-[(2S)-2-amino-3-phenylpropanoyl]imidazol-4-yl]-1-[[(1S,2R)-3-cyclohexyl-1-hydroxy-1-thiophen-2-ylpropan-2-yl]amino]-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1CNC(CN1)CC(OCC2=CC=C(C=C2)F)OCC3=CC=C(C=C3)F

DOS

IR

Vibrations