Geometry & MOs

Info

ID:

107787

PubChem CID:

50218787

Reduced:

FSO4N7C33H40 (1)

Stoich.:

ABC4D7E33F40 (1)

Weight, g/mol:

620.368619

ΔHf, kcal/mol:

-149.94

Dipole, Da:

2.01

IP(EA), eV:

 -9.1(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[2-[2-methyl-5-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)NCC5=CC=C(C=C5)F)C

DOS

IR

Vibrations