Geometry & MOs

Info

ID:

119954

PubChem CID:

50708431

Reduced:

BrClO4N5C34H45 (1)

Stoich.:

ABC4D5E34F45 (1)

Weight, g/mol:

622.210674

ΔHf, kcal/mol:

-188.73

Dipole, Da:

10.9

IP(EA), eV:

 -8.71(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(methylcarbamoyl)anilino]-2-oxoethyl]-N-[2-[2-[(2-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCCC4)Cl

DOS

IR

Vibrations