Geometry & MOs

Info

ID:

118291

PubChem CID:

50637194

Reduced:

BrClO5N6C34H44 (1)

Stoich.:

ABC5D6E34F44 (1)

Weight, g/mol:

692.345296

ΔHf, kcal/mol:

-221.33

Dipole, Da:

4.32

IP(EA), eV:

 -9.02(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]-N-[1-[4-(cyclohexylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)Br)C(=O)N

DOS

IR

Vibrations