Geometry & MOs

Info

ID:

120161

PubChem CID:

50716116

Reduced:

ClFO4N5C34H43 (1)

Stoich.:

ABC4D5E34F43 (1)

Weight, g/mol:

639.298761

ΔHf, kcal/mol:

-221.93

Dipole, Da:

7.59

IP(EA), eV:

 -9.02(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[2-chloro-5-(cyclohexylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-(2-fluoro-4-methylphenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCCC5)Cl

DOS

IR

Vibrations