Geometry & MOs

Info

ID:

118300

PubChem CID:

50637830

Reduced:

ClN6O6C42H53 (1)

Stoich.:

AB6C6D42E53 (1)

Weight, g/mol:

638.298346

ΔHf, kcal/mol:

-237.14

Dipole, Da:

5.11

IP(EA), eV:

 -8.92(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]-N-[3-methyl-1-[2-methyl-4-(methylcarbamoyl)anilino]-1-oxobutan-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)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=C(C=C5)OC)C

DOS

IR

Vibrations