Geometry & MOs

Info

ID:

113600

PubChem CID:

50452103

Reduced:

ClF2O5N6C36H39 (1)

Stoich.:

AB2C5D6E36F39 (1)

Weight, g/mol:

722.279503

ΔHf, kcal/mol:

-257.23

Dipole, Da:

3.57

IP(EA), eV:

 -8.95(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-(propan-2-ylcarbamoyl)phenyl]-1-[1-[2-[3-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)Cl)C(=O)N(C)C)C(=O)NC5=C(C=CC=C5F)F

DOS

IR

Vibrations