Geometry & MOs

Info

ID:

170239

PubChem CID:

75212041

Reduced:

SN4O5C32H42 (1)

Stoich.:

AB4C5D32E42 (1)

Weight, g/mol:

608.303242

ΔHf, kcal/mol:

-167.83

Dipole, Da:

3.36

IP(EA), eV:

 -9.02(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C(=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