Geometry & MOs

Info

ID:

113772

PubChem CID:

50458210

Reduced:

FN6O6C36H43 (1)

Stoich.:

AB6C6D36E43 (1)

Weight, g/mol:

716.349775

ΔHf, kcal/mol:

-267.06

Dipole, Da:

4.9

IP(EA), eV:

 -8.07(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(diethylcarbamoyl)-2-methylphenyl]-1-[1-[2-[3-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)OC)NC(=O)C(C)C)C

DOS

IR

Vibrations