Geometry & MOs

Info

ID:

115593

PubChem CID:

50527953

Reduced:

ClF2O5N6C32H33 (1)

Stoich.:

AB2C5D6E32F33 (1)

Weight, g/mol:

607.23616

ΔHf, kcal/mol:

-259.85

Dipole, Da:

2.67

IP(EA), eV:

 -9.08(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-[(4-fluorophenyl)carbamoyl]-2-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)CCNC(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)N

DOS

IR

Vibrations