Geometry & MOs

Info

ID:

95764

PubChem CID:

50013884

Reduced:

BrClO4N5C31H41 (1)

Stoich.:

ABC4D5E31F41 (1)

Weight, g/mol:

672.343547

ΔHf, kcal/mol:

-174.8

Dipole, Da:

12.47

IP(EA), eV:

 -8.78(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-[3-[[2-(4-fluorophenyl)acetyl]amino]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)Br)Cl

DOS

IR

Vibrations