Geometry & MOs

Info

ID:

119196

PubChem CID:

50673555

Reduced:

Cl2O5N6C30H36 (1)

Stoich.:

A2B5C6D30E36 (1)

Weight, g/mol:

746.275024

ΔHf, kcal/mol:

-218.5

Dipole, Da:

9.31

IP(EA), eV:

 -8.95(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-[(2-methylbenzoyl)amino]phenyl]-1-[1-[2-[2-chloro-5-(piperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)Cl)C(=O)N)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCC4)Cl

DOS

IR

Vibrations