Geometry & MOs

Info

ID:

115472

PubChem CID:

50524130

Reduced:

ClO5N6C33H41 (1)

Stoich.:

AB5C6D33E41 (1)

Weight, g/mol:

672.259374

ΔHf, kcal/mol:

-186.82

Dipole, Da:

4.91

IP(EA), eV:

 -8.93(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(dimethylcarbamoyl)anilino]-2-oxoethyl]-N-[1-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=CC(=C4)C(=O)N5CCCC5)Cl

DOS

IR

Vibrations