Geometry & MOs

Info

ID:

104830

PubChem CID:

50105734

Reduced:

F2O5N6C40H50 (1)

Stoich.:

A2B5C6D40E50 (1)

Weight, g/mol:

513.214282

ΔHf, kcal/mol:

-294.94

Dipole, Da:

11.69

IP(EA), eV:

 -8.65(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(5-carbamoyl-2-chlorophenyl)-1-[1-[4-(dimethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NCC(C)C)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC(=C(C=C4)F)F)C

DOS

IR

Vibrations