Geometry & MOs

Info

ID:

112044

PubChem CID:

50392980

Reduced:

N5O5C36H49 (1)

Stoich.:

A5B5C36D49 (1)

Weight, g/mol:

617.394105

ΔHf, kcal/mol:

-221.77

Dipole, Da:

9.74

IP(EA), eV:

 -8.91(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-3-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]-N-[3-methyl-1-oxo-1-(1-phenylethylamino)butan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=CC(=C4)C(=O)C)C

DOS

IR

Vibrations