Geometry & MOs

Info

ID:

186350

PubChem CID:

77423809

Reduced:

SN5O7C34H59 (1)

Stoich.:

AB5C7D34E59 (1)

Weight, g/mol:

579.155195

ΔHf, kcal/mol:

-374.38

Dipole, Da:

7.32

IP(EA), eV:

 -9.35(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-4-[4-(3,4-dihydroxybutyl)phenyl]-6-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methylsulfanyl]pyridine-3,5-dicarbonitrile

Drug info:

PubChemData

Smile

CC(C)(C)C1CCN(C1C(=O)NC(CC2CC2)C(=O)C(=O)N)C(=O)C(C(C)(C)C)NC(=O)NC3(CCCCC3)CS(=O)(=O)C(C)(C)C

DOS

IR

Vibrations