Geometry & MOs

Info

ID:

110872

PubChem CID:

50342502

Reduced:

FO4N5C34H40 (1)

Stoich.:

AB4C5D34E40 (1)

Weight, g/mol:

603.378455

ΔHf, kcal/mol:

-183.1

Dipole, Da:

7.92

IP(EA), eV:

 -8.9(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-methyl-3-[(2-methylcyclohexyl)carbamoyl]phenyl]-1-[1-[2-methyl-3-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C(=CC=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC(=CC=C4)F)C)C

DOS

IR

Vibrations