Geometry & MOs

Info

ID:	33747
PubChem CID:	7887927
Reduced:	S2N3H15C18 (1)
Stoich.:	A2B3C15D18 (1)
Weight, g/mol:	322.08097
ΔH_f, kcal/mol:	98.44
Dipole, Da:	3.97
IP(EA), eV:	-8.66(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]acetate

Drug info:

PubChemData

Smile

CC1=NC2=C(C3=C(S2)CCC3)C(=N1)SCC4=CC(=CC=C4)C#N

DOS

IR

Vibrations