Geometry & MOs

Info

ID:

185071

PubChem CID:

77251062

Reduced:

SO4N5C31H41 (1)

Stoich.:

AB4C5D31E41 (1)

Weight, g/mol:

512.336256

ΔHf, kcal/mol:

-125.71

Dipole, Da:

3.45

IP(EA), eV:

 -8.55(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-methyl-1-oxo-1-(3-oxo-6-propan-2-yl-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentan-2-yl]-4-(4-propylpiperazin-1-yl)benzamide

Drug info:

PubChemData

Smile

CC(C)C1CN(C2C1OCC2=O)C(=O)C(C3CCCC3)NC(=O)C4=CC=C(C=C4)C5=CSC(=N5)N6CCN(CC6)C

DOS

IR

Vibrations