Geometry & MOs

Info

ID:

436056

PubChem CID:

135193594

Reduced:

F2N7O14C48H67 (1)

Stoich.:

A2B7C14D48E67 (1)

Weight, g/mol:

561.114554

ΔHf, kcal/mol:

-665.58

Dipole, Da:

9.01

IP(EA), eV:

 -8.79(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R)-4-[2-(5-fluoro-6-methylpyridin-2-yl)-4-(trifluoromethyl)phenyl]-N-(6-fluoropyridin-2-yl)-3,4-dihydro-2H-chromene-7-sulfonamide

Drug info:

PubChemData

Smile

CC(C)(C)C(C1=CC(=CN1CC2=CC=CC=C2)C3=C(C=CC(=C3)F)F)N(CCC(C(=O)NC(CNC(=O)CCOCCOCCOCCOCCNC(=O)CNC(=O)CCC(=O)O)C(=O)O)N)C(=O)CO

DOS

IR

Vibrations