Geometry & MOs

Info

ID:

106767

PubChem CID:

50175550

Reduced:

N5O6C34H47 (1)

Stoich.:

A5B6C34D47 (1)

Weight, g/mol:

702.334125

ΔHf, kcal/mol:

-247.23

Dipole, Da:

3.09

IP(EA), eV:

 -8.27(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2CCCC2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=C(C=C4)OC)OC

DOS

IR

Vibrations