Geometry & MOs

Info

ID:

117611

PubChem CID:

50608666

Reduced:

BrClO5N6C28H32 (1)

Stoich.:

ABC5D6E28F32 (1)

Weight, g/mol:

630.212424

ΔHf, kcal/mol:

-188.35

Dipole, Da:

3.01

IP(EA), eV:

 -9.0(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-chloro-2-(dimethylcarbamoyl)phenyl]-1-[1-[2-[4-chloro-3-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)Br)C(=O)N)Cl

DOS

IR

Vibrations