Geometry & MOs

Info

ID:

119005

PubChem CID:

50666985

Reduced:

Cl2F3O4N5C29H32 (1)

Stoich.:

A2B3C4D5E29F32 (1)

Weight, g/mol:

599.251062

ΔHf, kcal/mol:

-321.95

Dipole, Da:

6.11

IP(EA), eV:

 -9.07(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]-N-[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(F)(F)F)Cl)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N4CCCC4)Cl

DOS

IR

Vibrations