Geometry & MOs

Info

ID:

103567

PubChem CID:

50071788

Reduced:

FSO3N6C27H31 (1)

Stoich.:

ABC3D6E27F31 (1)

Weight, g/mol:

710.379183

ΔHf, kcal/mol:

-98.69

Dipole, Da:

9.65

IP(EA), eV:

 -8.56(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-(cyclohexanecarbonylamino)-4-methoxyanilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-5-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=C(C=C(C=C4)C)F)C

DOS

IR

Vibrations