Geometry & MOs

Info

ID:

106665

PubChem CID:

50172329

Reduced:

N5O6C35H49 (1)

Stoich.:

A5B6C35D49 (1)

Weight, g/mol:

625.341024

ΔHf, kcal/mol:

-251.08

Dipole, Da:

6.76

IP(EA), eV:

 -8.38(-0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=C(C=C4)OC)OC

DOS

IR

Vibrations