Geometry & MOs

Info

ID:

188905

PubChem CID:

77782005

Reduced:

NO12C36H39 (1)

Stoich.:

AB12C36D39 (1)

Weight, g/mol:

489.181268

ΔHf, kcal/mol:

-433.54

Dipole, Da:

6.89

IP(EA), eV:

 -9.04(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-methyl-5-(morpholin-4-ylmethyl)pyrazole-3-carbonyl]-4-methylsulfonyl-6-propan-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one;hydrochloride

Drug info:

PubChemData

Smile

CC(CC(CN(CC(=O)O)C(=O)C1C(OC(O1)(C(=O)O)C(=O)O)C(=O)OC(C)(C)C)C2=CC=C(C=C2)OC3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations