Geometry & MOs

Info

ID:

169841

PubChem CID:

75155937

Reduced:

ClN4O6C31H33 (1)

Stoich.:

AB4C6D31E33 (1)

Weight, g/mol:

589.370199

ΔHf, kcal/mol:

-198.99

Dipole, Da:

2.64

IP(EA), eV:

 -8.62(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[bis(2-methylpropyl)amino]propyl]-4-[[4-[(2,5-dimethylphenyl)methyl]-3-oxo-4a,5,6,7,8,8a-hexahydrobenzo[b][1,4]thiazin-2-ylidene]methyl]benzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)NC(=O)CN2C3CC(CCC3C(=O)N(C2=O)CC4=CC=CO4)C(=O)NCCC5=CC=CC=C5

DOS

IR

Vibrations