Geometry & MOs

Info

ID:

170238

PubChem CID:

75212040

Reduced:

SN2O5C27H32 (1)

Stoich.:

AB2C5D27E32 (1)

Weight, g/mol:

594.287592

ΔHf, kcal/mol:

-174.92

Dipole, Da:

6.81

IP(EA), eV:

 -9.12(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-N-[4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]-2,4,6-trimethyl-1-methylsulfonyl-3-N-(1-phenylethyl)-4H-pyridine-3,5-dicarboxamide

Drug info:

PubChemData

Smile

CCC1C(=C(N(C(=C1C(=O)OCC2=CC=CC=C2)C)S(=O)(=O)C)C)C(=O)NC(C)C3=CC=CC=C3

DOS

IR

Vibrations