Geometry & MOs

Info

ID:

189098

PubChem CID:

77818014

Reduced:

O3N4C28H44 (1)

Stoich.:

A3B4C28D44 (1)

Weight, g/mol:

485.176661

ΔHf, kcal/mol:

-112.99

Dipole, Da:

2.92

IP(EA), eV:

 -8.89(0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[6-methyl-1-[methyl(propyl)sulfamoyl]-5-oxo-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-4-yl]-1,3-thiazol-4-yl]ethyl N-prop-2-enylcarbamate

Drug info:

PubChemData

Smile

CC1(C2(C13CC(N(C3)C(=O)C(C(C)(C)C)N)C(=O)NC(CC4CCC4=C)C(=O)C(=C)N)CCC2)C

DOS

IR

Vibrations