Geometry & MOs

Info

ID:

115556

PubChem CID:

50527275

Reduced:

ClO5N6C29H37 (1)

Stoich.:

AB5C6D29E37 (1)

Weight, g/mol:

610.267046

ΔHf, kcal/mol:

-197.32

Dipole, Da:

6.24

IP(EA), eV:

 -9.03(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(3-carbamoyl-4-chloroanilino)-2-oxoethyl]-N-[3-methyl-1-oxo-1-[4-(pyrrolidine-1-carbonyl)anilino]butan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=CC=C(C=C1)C(=O)N(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)N

DOS

IR

Vibrations