Geometry & MOs

Info

ID:

113705

PubChem CID:

50455743

Reduced:

Cl2F2O4N5C31H31 (1)

Stoich.:

A2B2C4D5E31F31 (1)

Weight, g/mol:

668.332233

ΔHf, kcal/mol:

-227.9

Dipole, Da:

8.17

IP(EA), eV:

 -9.02(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-(dimethylcarbamoyl)-2-methoxyphenyl]-1-[1-[2-[2-methyl-3-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)Cl)Cl)C(=O)NC4=C(C=C(C=C4)F)F

DOS

IR

Vibrations