Geometry & MOs

Info

ID:

108171

PubChem CID:

50233474

Reduced:

FSO4N7C31H38 (1)

Stoich.:

ABC4D7E31F38 (1)

Weight, g/mol:

675.323226

ΔHf, kcal/mol:

-151.97

Dipole, Da:

6.77

IP(EA), eV:

 -8.82(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-(cyclohexylcarbamoyl)-2-methoxyphenyl]-1-[1-[4-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=NN=C(S4)C

DOS

IR

Vibrations