Geometry & MOs

Info

ID:

119478

PubChem CID:

50686829

Reduced:

ClF2O4N5C35H38 (1)

Stoich.:

AB2C4D5E35F38 (1)

Weight, g/mol:

692.252539

ΔHf, kcal/mol:

-228.69

Dipole, Da:

3.49

IP(EA), eV:

 -9.05(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]-N-[3-[3-[(2-fluorobenzoyl)amino]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCC5)Cl

DOS

IR

Vibrations