Geometry & MOs

Info

ID:

93773

PubChem CID:

49996597

Reduced:

F2O5N6C40H48 (1)

Stoich.:

A2B5C6D40E48 (1)

Weight, g/mol:

710.27913

ΔHf, kcal/mol:

-287.71

Dipole, Da:

9.18

IP(EA), eV:

 -8.99(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-bromo-3-(dimethylcarbamoyl)anilino]-3-oxopropyl]-1-[2-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=C(C=C4)C(=O)NC5=CC(=C(C=C5)F)F)C

DOS

IR

Vibrations