Geometry & MOs

Info

ID:

120110

PubChem CID:

50714508

Reduced:

ClO5N6C41H55 (1)

Stoich.:

AB5C6D41E55 (1)

Weight, g/mol:

734.335875

ΔHf, kcal/mol:

-240.95

Dipole, Da:

15.2

IP(EA), eV:

 -8.76(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(diethylcarbamoyl)anilino]-2-oxoethyl]-N-[1-[2-[(2-fluoro-4-methylphenyl)carbamoyl]-6-methylanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC=C(C=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=C(C=CC(=C5)C(=O)NC6CCCCC6)Cl

DOS

IR

Vibrations