Geometry & MOs

Info

ID:

214919

PubChem CID:

85083850

Reduced:

S2N6O7C28H42 (1)

Stoich.:

A2B6C7D28E42 (1)

Weight, g/mol:

640.362471

ΔHf, kcal/mol:

-280.5

Dipole, Da:

4.26

IP(EA), eV:

 -9.51(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[3-hydroxy-6-[[1-(1H-imidazol-2-yl)-2-methylpropyl]amino]-6-oxo-1-phenyl-5-[(4-phenylmethoxyphenyl)methyl]hexan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC(C(=O)NC1=NC(=CS1)CC(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)O)N

DOS

IR

Vibrations