Geometry & MOs

Info

ID:

93798

PubChem CID:

49996703

Reduced:

ClO4N5C35H48 (1)

Stoich.:

AB4C5D35E48 (1)

Weight, g/mol:

702.446869

ΔHf, kcal/mol:

-201.44

Dipole, Da:

8.13

IP(EA), eV:

 -8.89(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-(butan-2-ylcarbamoyl)-2-methylanilino]-3-methyl-1-oxobutan-2-yl]-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)NC(C(C)C)C(=O)NC4=C(C(=CC=C4)Cl)C

DOS

IR

Vibrations