Geometry & MOs

Info

ID:

116368

PubChem CID:

50558220

Reduced:

ClF3O4N5C26H29 (1)

Stoich.:

AB3C4D5E26F29 (1)

Weight, g/mol:

704.308911

ΔHf, kcal/mol:

-283.54

Dipole, Da:

3.57

IP(EA), eV:

 -9.14(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]-N-[3-[4-methoxy-3-[(2-methylbenzoyl)amino]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=C(C(=C(C=C3)F)F)F)Cl

DOS

IR

Vibrations