Geometry & MOs

Info

ID:	195013
PubChem CID:	78620364
Reduced:	SO2N5C17H17 (1)
Stoich.:	AB2C5D17E17 (1)
Weight, g/mol:	359.130363
ΔH_f, kcal/mol:	59.04
Dipole, Da:	4.17
IP(EA), eV:	-8.69(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)-N-(hexan-2-ylideneamino)acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NN=CC3=CC=CO3

DOS

IR

Vibrations