Geometry & MOs

Info

ID:

169842

PubChem CID:

75156427

Reduced:

SO2N3C36H51 (1)

Stoich.:

AB2C3D36E51 (1)

Weight, g/mol:

565.330442

ΔHf, kcal/mol:

-92.52

Dipole, Da:

3.25

IP(EA), eV:

 -8.68(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[benzyl(ethyl)amino]propyl]-4-[[4-[(3-methylphenyl)methyl]-3-oxo-4a,5,6,7,8,8a-hexahydrobenzo[b][1,4]oxazin-2-ylidene]methyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)CN2C3CCCCC3SC(=CC4=CC=C(C=C4)C(=O)NCCCN(CC(C)C)CC(C)C)C2=O

DOS

IR

Vibrations