Geometry & MOs

Info

ID:

29288

PubChem CID:

832816

Reduced:

OSN2C17H17 (1)

Stoich.:

ABC2D17E17 (1)

Weight, g/mol:

326.108899

ΔHf, kcal/mol:

24.4

Dipole, Da:

6.14

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.759165

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-(dimethylamino)phenyl]imino-5-ethoxy-1-benzothiophen-3-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CSC(=[N+]2CCO)NC3=CC=CC=C3

DOS

IR

Vibrations