Geometry & MOs

Info

ID:

188770

PubChem CID:

77763490

Reduced:

SN3O5C23H25 (1)

Stoich.:

AB3C5D23E25 (1)

Weight, g/mol:

648.330519

ΔHf, kcal/mol:

-166.54

Dipole, Da:

3.74

IP(EA), eV:

 -9.35(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[1-[[1-[[1-cyclohexyl-3-hydroxy-4-(methanesulfonamido)butan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OCC1C(=O)C(=C2NC3=CC=CC=C3S(=O)(=O)N2)C(=O)N1CC4=CC=CC=C4

DOS

IR

Vibrations