Geometry & MOs

Info

ID:

120381

PubChem CID:

50725086

Reduced:

ClO4N5C37H38 (1)

Stoich.:

AB4C5D37E38 (1)

Weight, g/mol:

655.23616

ΔHf, kcal/mol:

-106.92

Dipole, Da:

9.8

IP(EA), eV:

 -8.58(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-N-[5-[(3-fluorophenyl)carbamoyl]-2-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5C)Cl

DOS

IR

Vibrations