Geometry & MOs

Info

ID:

105839

PubChem CID:

50139882

Reduced:

BrClO4N5C34H45 (1)

Stoich.:

ABC4D5E34F45 (1)

Weight, g/mol:

683.291926

ΔHf, kcal/mol:

-177.06

Dipole, Da:

3.0

IP(EA), eV:

 -9.08(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[4-methoxy-3-[(3-methylbenzoyl)amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)Br)Cl)C

DOS

IR

Vibrations