Geometry & MOs

Info

ID:	123300
PubChem CID:	50841021
Reduced:	FO2S2N5C18H20 (1)
Stoich.:	AB2C2D5E18F20 (1)
Weight, g/mol:	429.06778
ΔH_f, kcal/mol:	-20.5
Dipole, Da:	8.72
IP(EA), eV:	-8.49(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-yl)-2-[[11-(dimethylamino)-12-thia-3,4,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,10-pentaen-5-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCSC1=NN=C2N1C=CC=C2S(=O)(=O)N3CCN(CC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations