Geometry & MOs

Info

ID:

170240

PubChem CID:

75212042

Reduced:

SN4O5C33H44 (1)

Stoich.:

AB4C5D33E44 (1)

Weight, g/mol:

581.255957

ΔHf, kcal/mol:

-169.46

Dipole, Da:

4.19

IP(EA), eV:

 -9.06(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl 5-[[4-(cyclopropylamino)-3-hydroxy-1-phenylbutan-2-yl]carbamoyl]-2,4,6-trimethyl-1-methylsulfonyl-4H-pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CCC1C(=C(N(C(=C1C(=O)NC(CC2=CC=CC=C2)C(CNC3CC3)O)C)S(=O)(=O)C)C)C(=O)NC(C)C4=CC=CC=C4

DOS

IR

Vibrations