Geometry & MOs

Info

ID:

120218

PubChem CID:

50718325

Reduced:

ClFO5N6C34H44 (1)

Stoich.:

ABC5D6E34F44 (1)

Weight, g/mol:

694.243724

ΔHf, kcal/mol:

-269.87

Dipole, Da:

4.98

IP(EA), eV:

 -8.68(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-3-[(2-methylbenzoyl)amino]anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-chloro-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=CC(=C(C=C1)F)NC(=O)C2CCCCC2)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC)Cl

DOS

IR

Vibrations