Geometry & MOs

Info

ID:

110371

PubChem CID:

50322553

Reduced:

FO4N5C35H40 (1)

Stoich.:

AB4C5D35E40 (1)

Weight, g/mol:

627.322083

ΔHf, kcal/mol:

-180.43

Dipole, Da:

8.23

IP(EA), eV:

 -8.84(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(cyclohexylcarbamoyl)phenyl]-1-[1-[4-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=CC=C4C(=O)NC5CCCC5

DOS

IR

Vibrations