Geometry & MOs

Info

ID:

113293

PubChem CID:

50438503

Reduced:

F2O4N5C37H37 (1)

Stoich.:

A2B4C5D37E37 (1)

Weight, g/mol:

682.248202

ΔHf, kcal/mol:

-190.79

Dipole, Da:

10.0

IP(EA), eV:

 -8.9(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-chloro-2-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[2-[3-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC3=CC=CC(=C3C)C(=O)NCC4=CC=C(C=C4)F)C(=O)NC5=CC=C(C=C5)F

DOS

IR

Vibrations