Geometry & MOs

Info

ID:

114871

PubChem CID:

50500439

Reduced:

ClO4N5C36H42 (1)

Stoich.:

AB4C5D36E42 (1)

Weight, g/mol:

682.248202

ΔHf, kcal/mol:

-147.22

Dipole, Da:

13.01

IP(EA), eV:

 -8.77(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-[3-[(2,4-difluorophenyl)carbamoyl]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)C)NC(=O)C5=CC=CC(=C5)C)Cl

DOS

IR

Vibrations