Geometry & MOs

Info

ID:

118493

PubChem CID:

50644452

Reduced:

ClO5N6C28H35 (1)

Stoich.:

AB5C6D28E35 (1)

Weight, g/mol:

720.259374

ΔHf, kcal/mol:

-199.67

Dipole, Da:

9.36

IP(EA), eV:

 -9.17(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=CC(=C3)C(=O)N

DOS

IR

Vibrations