Geometry & MOs

Info

ID:

116921

PubChem CID:

50581131

Reduced:

ClF3N5O5C30H35 (1)

Stoich.:

AB3C5D5E30F35 (1)

Weight, g/mol:

714.269939

ΔHf, kcal/mol:

-361.18

Dipole, Da:

7.39

IP(EA), eV:

 -8.93(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[4-chloro-3-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[4-chloro-2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC=C1OC(F)(F)F)NC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC4CCCC4

DOS

IR

Vibrations