Geometry & MOs

Info

ID:

94341

PubChem CID:

49999789

Reduced:

ClO5N6C42H59 (1)

Stoich.:

AB5C6D42E59 (1)

Weight, g/mol:

700.431219

ΔHf, kcal/mol:

-265.19

Dipole, Da:

7.08

IP(EA), eV:

 -8.63(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[2-methyl-4-(propylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)NC(=O)C5CCCCC5)Cl

DOS

IR

Vibrations