Geometry & MOs

Info

ID:

91680

PubChem CID:

49978239

Reduced:

SO5N7C27H37 (1)

Stoich.:

AB5C7D27E37 (1)

Weight, g/mol:

603.266854

ΔHf, kcal/mol:

-170.66

Dipole, Da:

6.61

IP(EA), eV:

 -9.21(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]-N-[3-oxo-3-(2,3,4-trifluoroanilino)propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=NN=C(S4)C

DOS

IR

Vibrations