Geometry & MOs

Info

ID:

116640

PubChem CID:

50569717

Reduced:

ClSO5N7C25H32 (1)

Stoich.:

ABC5D7E25F32 (1)

Weight, g/mol:

710.243117

ΔHf, kcal/mol:

-167.05

Dipole, Da:

4.06

IP(EA), eV:

 -9.2(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]-N-[2-[3-[(2,4-difluorophenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(S1)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)N4CCOCC4

DOS

IR

Vibrations