Geometry & MOs

Info

ID:

106875

PubChem CID:

50179996

Reduced:

SO4N7C29H41 (1)

Stoich.:

AB4C7D29E41 (1)

Weight, g/mol:

585.273339

ΔHf, kcal/mol:

-140.96

Dipole, Da:

10.01

IP(EA), eV:

 -8.98(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=NN=C(S4)C(C)C)C

DOS

IR

Vibrations