Geometry & MOs

Info

ID:

111551

PubChem CID:

50372205

Reduced:

ClO5N6C38H45 (1)

Stoich.:

AB5C6D38E45 (1)

Weight, g/mol:

528.251875

ΔHf, kcal/mol:

-192.39

Dipole, Da:

10.94

IP(EA), eV:

 -8.65(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=CC=C3)NC(=O)C4=CC=C(C=C4)Cl)C(=O)NC5CCCC5

DOS

IR

Vibrations