Geometry & MOs

Info

ID:

115544

PubChem CID:

50526757

Reduced:

BrClO5N6C30H38 (1)

Stoich.:

ABC5D6E30F38 (1)

Weight, g/mol:

650.241974

ΔHf, kcal/mol:

-198.46

Dipole, Da:

8.3

IP(EA), eV:

 -9.01(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)N(C)C)Br

DOS

IR

Vibrations