Geometry & MOs

Info

ID:

110287

PubChem CID:

50318864

Reduced:

FO4N5C30H32 (1)

Stoich.:

AB4C5D30E32 (1)

Weight, g/mol:

529.247124

ΔHf, kcal/mol:

-173.18

Dipole, Da:

3.5

IP(EA), eV:

 -8.86(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(dimethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)N)F

DOS

IR

Vibrations