Geometry & MOs

Info

ID:

93041

PubChem CID:

49991079

Reduced:

ClO4N5C34H46 (1)

Stoich.:

AB4C5D34E46 (1)

Weight, g/mol:

603.34207

ΔHf, kcal/mol:

-184.49

Dipole, Da:

7.26

IP(EA), eV:

 -9.15(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-(morpholine-4-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCCC4)C)Cl

DOS

IR

Vibrations