Geometry & MOs

Info

ID:

113543

PubChem CID:

50449841

Reduced:

ClF2O5N6C35H39 (1)

Stoich.:

AB2C5D6E35F39 (1)

Weight, g/mol:

694.248202

ΔHf, kcal/mol:

-274.55

Dipole, Da:

8.56

IP(EA), eV:

 -9.13(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[5-chloro-2-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]-1-[2-[3-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)Cl)C(=O)NCC(C)C)C(=O)NC4=C(C=C(C=C4)F)F

DOS

IR

Vibrations