Geometry & MOs

Info

ID:

117125

PubChem CID:

50591642

Reduced:

ClO4N5C34H46 (1)

Stoich.:

AB4C5D34E46 (1)

Weight, g/mol:

639.318747

ΔHf, kcal/mol:

-187.91

Dipole, Da:

5.81

IP(EA), eV:

 -8.85(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(cyclohexylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[2-methoxy-5-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC4CCCCC4)C(=O)NCC(C)C

DOS

IR

Vibrations