Geometry & MOs

Info

ID:

110867

PubChem CID:

50342397

Reduced:

O4N5C29H39 (1)

Stoich.:

A4B5C29D39 (1)

Weight, g/mol:

589.362805

ΔHf, kcal/mol:

-151.83

Dipole, Da:

7.67

IP(EA), eV:

 -8.84(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[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=CC=CC(=C3)C(=O)N(C)C)C

DOS

IR

Vibrations