Geometry & MOs

Info

ID:

119040

PubChem CID:

50668292

Reduced:

ClSO4N6C23H29 (1)

Stoich.:

ABC4D6E23F29 (1)

Weight, g/mol:

652.313996

ΔHf, kcal/mol:

-142.56

Dipole, Da:

5.67

IP(EA), eV:

 -9.04(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[2-chloro-5-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[2-methyl-4-(propylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=NC=CS3

DOS

IR

Vibrations