Geometry & MOs

Info

ID:

117320

PubChem CID:

50598200

Reduced:

ClFO5N6C40H42 (1)

Stoich.:

ABC5D6E40F42 (1)

Weight, g/mol:

734.275024

ΔHf, kcal/mol:

-201.19

Dipole, Da:

5.06

IP(EA), eV:

 -8.8(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[4-chloro-3-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[4-chloro-2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC4=CC=CC=C4)NC(=O)CC5=CC=C(C=C5)F

DOS

IR

Vibrations