Geometry & MOs

Info

ID:

109625

PubChem CID:

50292129

Reduced:

F2O5N6C33H36 (1)

Stoich.:

A2B5C6D33E36 (1)

Weight, g/mol:

662.302825

ΔHf, kcal/mol:

-262.71

Dipole, Da:

12.45

IP(EA), eV:

 -8.95(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-[3-(dimethylcarbamoyl)-2-methylanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC=CC(=C4C)C(=O)N

DOS

IR

Vibrations