Geometry & MOs

Info

ID:

170241

PubChem CID:

75212043

Reduced:

SN3O6C31H39 (1)

Stoich.:

AB3C6D31E39 (1)

Weight, g/mol:

595.271607

ΔHf, kcal/mol:

-199.52

Dipole, Da:

5.27

IP(EA), eV:

 -8.96(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C(=C(N(C(=C1C(=O)OCC2=CC=CC=C2)C)S(=O)(=O)C)C)C(=O)NC(CC3=CC=CC=C3)C(CNC4CC4)O

DOS

IR

Vibrations