Geometry & MOs

Info

ID:

91638

PubChem CID:

49977809

Reduced:

SO5N7C27H37 (1)

Stoich.:

AB5C7D27E37 (1)

Weight, g/mol:

651.243532

ΔHf, kcal/mol:

-172.58

Dipole, Da:

6.95

IP(EA), eV:

 -9.01(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl]-1-[1-[2-methyl-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations