Geometry & MOs

Info

ID:

92451

PubChem CID:

49986396

Reduced:

SO4N6C28H38 (1)

Stoich.:

AB4C6D28E38 (1)

Weight, g/mol:

595.294074

ΔHf, kcal/mol:

-141.87

Dipole, Da:

0.96

IP(EA), eV:

 -9.17(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[5-(cyclopentylcarbamoyl)-2-methylanilino]-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)NC2CCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=NC=CS4

DOS

IR

Vibrations