Geometry & MOs

Info

ID:

106558

PubChem CID:

50168463

Reduced:

N5O6C36H51 (1)

Stoich.:

A5B6C36D51 (1)

Weight, g/mol:

639.356674

ΔHf, kcal/mol:

-252.52

Dipole, Da:

11.13

IP(EA), eV:

 -8.33(-0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=C(C=C4)OC)OC)C

DOS

IR

Vibrations