Geometry & MOs

Info

ID:

104870

PubChem CID:

50105812

Reduced:

SO4N7C26H37 (1)

Stoich.:

AB4C7D26E37 (1)

Weight, g/mol:

684.343547

ΔHf, kcal/mol:

-127.89

Dipole, Da:

8.82

IP(EA), eV:

 -8.86(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-[4-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N(C)C)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=NN=C(S3)C(C)C

DOS

IR

Vibrations