Geometry & MOs

Info

ID:

91026

PubChem CID:

49972877

Reduced:

FO4N5C33H44 (1)

Stoich.:

AB4C5D33E44 (1)

Weight, g/mol:

583.294074

ΔHf, kcal/mol:

-220.78

Dipole, Da:

5.98

IP(EA), eV:

 -8.88(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-N-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NCC4=CC=C(C=C4)F

DOS

IR

Vibrations