Geometry & MOs

Info

ID:

118704

PubChem CID:

50655045

Reduced:

ClO3N4C31H41 (1)

Stoich.:

AB3C4D31E41 (1)

Weight, g/mol:

672.259374

ΔHf, kcal/mol:

-134.94

Dipole, Da:

3.64

IP(EA), eV:

 -8.84(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[1-[3-chloro-4-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=CC=C4C(C)C

DOS

IR

Vibrations