Geometry & MOs

Info

ID:	33367
PubChem CID:	7886095
Reduced:	SN2O3H18C21 (1)
Stoich.:	AB2C3D18E21 (1)
Weight, g/mol:	414.118418
ΔH_f, kcal/mol:	-56.76
Dipole, Da:	6.05
IP(EA), eV:	-8.78(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyanocyclopentyl)-2-[(12-oxo-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)OC(=O)C=C2CN3C=NC4=C(C3=O)C5=C(S4)CCC5

DOS

IR

Vibrations