Geometry & MOs

Info

ID:

185902

PubChem CID:

77366675

Reduced:

N2O7H24C26 (1)

Stoich.:

A2B7C24D26 (1)

Weight, g/mol:

793.430902

ΔHf, kcal/mol:

-189.28

Dipole, Da:

6.27

IP(EA), eV:

 -9.08(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[1-[[1-[[1-[[1-cyclohexyl-3-hydroxy-5-(1H-imidazol-2-ylsulfanyl)pentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]piperidin-4-yl]carbamate

Drug info:

PubChemData

Smile

CC1=NCCN2C1=CC=C2C3=CC=C(C=C3)OC(=O)OCC4=CC=CC=C4.C(=CC(=O)O)C(=O)O

DOS

IR

Vibrations