Geometry & MOs

Info

ID:

117573

PubChem CID:

50607796

Reduced:

BrClO5N6C27H32 (1)

Stoich.:

ABC5D6E27F32 (1)

Weight, g/mol:

602.181124

ΔHf, kcal/mol:

-189.15

Dipole, Da:

4.13

IP(EA), eV:

 -9.27(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(5-carbamoyl-2-chloroanilino)-2-oxoethyl]-N-[2-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations