Geometry & MOs

Info

ID:

185069

PubChem CID:

77251060

Reduced:

SO4N5C32H45 (1)

Stoich.:

AB4C5D32E45 (1)

Weight, g/mol:

484.304956

ΔHf, kcal/mol:

-133.38

Dipole, Da:

6.58

IP(EA), eV:

 -8.48(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-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-methylpiperazin-1-yl)benzamide

Drug info:

PubChemData

Smile

CCC(C)(C)C(C(=O)N1CC(C2C1C(=O)CO2)C(C)(C)C)NC(=O)C3=CC=C(C=C3)C4=CSC(=N4)N5CCN(CC5)C

DOS

IR

Vibrations