Geometry & MOs

Info

ID:

114969

PubChem CID:

50503992

Reduced:

ClO4N5C30H40 (1)

Stoich.:

AB4C5D30E40 (1)

Weight, g/mol:

621.251811

ΔHf, kcal/mol:

-188.45

Dipole, Da:

5.31

IP(EA), eV:

 -8.37(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]-N-[4-[[2-(4-fluorophenyl)acetyl]amino]-3-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC(C)C)C

DOS

IR

Vibrations