Geometry & MOs

Info

ID:

91411

PubChem CID:

49975748

Reduced:

F3N5O5C30H36 (1)

Stoich.:

A3B5C5D30E36 (1)

Weight, g/mol:

640.277611

ΔHf, kcal/mol:

-347.02

Dipole, Da:

9.84

IP(EA), eV:

 -9.05(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-chloro-4-(propanoylamino)anilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations