Geometry & MOs

Info

ID:

119896

PubChem CID:

50706450

Reduced:

ClFO4N5C34H39 (1)

Stoich.:

ABC4D5E34F39 (1)

Weight, g/mol:

617.276883

ΔHf, kcal/mol:

-187.01

Dipole, Da:

8.87

IP(EA), eV:

 -8.73(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(diethylcarbamoyl)anilino]-2-oxoethyl]-N-[2-methyl-4-[(2-methylphenyl)carbamoyl]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=C(C=C3)C(=O)NC4=C(C=C(C=C4)C)F)C

DOS

IR

Vibrations