Geometry & MOs

Info

ID:

90075

PubChem CID:

49966181

Reduced:

BrO4N5C35H46 (1)

Stoich.:

AB4C5D35E46 (1)

Weight, g/mol:

595.294074

ΔHf, kcal/mol:

-173.1

Dipole, Da:

3.52

IP(EA), eV:

 -8.95(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=C(C=C5C)Br)C

DOS

IR

Vibrations