Geometry & MOs

Info

ID:

116237

PubChem CID:

50552217

Reduced:

ClFO5N6C38H44 (1)

Stoich.:

ABC5D6E38F44 (1)

Weight, g/mol:

700.290674

ΔHf, kcal/mol:

-237.68

Dipole, Da:

8.88

IP(EA), eV:

 -8.82(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-chloro-4-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[1-[4-chloro-3-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)NC(=O)C(C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)N5CCCCC5)F

DOS

IR

Vibrations