Geometry & MOs

Info

ID:

327091

PubChem CID:

126688982

Reduced:

NSO10C11H15 (1)

Stoich.:

ABC10D11E15 (1)

Weight, g/mol:

735.324369

ΔHf, kcal/mol:

-438.26

Dipole, Da:

5.75

IP(EA), eV:

 -10.26(-1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-cyclopropyl-N-[2-hydroxy-2-[3-[[2-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]phenyl]-2-phenylethyl]carbamate

Drug info:

PubChemData

Smile

CC(=O)OCOC(=O)N[C@@H](CSC(=O)OCOC(=O)C)C(=O)O

DOS

IR

Vibrations