Geometry & MOs

Info

ID:

114157

PubChem CID:

50473398

Reduced:

FCl2O4N5C34H38 (1)

Stoich.:

AB2C4D5E34F38 (1)

Weight, g/mol:

703.254845

ΔHf, kcal/mol:

-200.26

Dipole, Da:

4.67

IP(EA), eV:

 -8.68(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-chloro-5-(trifluoromethyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[3-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)Cl)Cl)C)F

DOS

IR

Vibrations