Geometry & MOs

Info

ID:

118120

PubChem CID:

50629693

Reduced:

ClFO5N6C36H40 (1)

Stoich.:

ABC5D6E36F40 (1)

Weight, g/mol:

624.282696

ΔHf, kcal/mol:

-221.64

Dipole, Da:

4.45

IP(EA), eV:

 -8.48(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]-N-[3-oxo-3-[3-(propan-2-ylcarbamoyl)anilino]propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N4CCCC4)Cl)NC(=O)C5=CC(=CC=C5)F

DOS

IR

Vibrations