Geometry & MOs

Info

ID:

93672

PubChem CID:

49995963

Reduced:

ClO5N6C42H53 (1)

Stoich.:

AB5C6D42E53 (1)

Weight, g/mol:

752.406147

ΔHf, kcal/mol:

-221.16

Dipole, Da:

6.48

IP(EA), eV:

 -8.86(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylphenyl]-1-[1-[2-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-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)NC(=O)C5=CC=CC(=C5)C)Cl

DOS

IR

Vibrations