Geometry & MOs

Info

ID:	33813
PubChem CID:	7888239
Reduced:	S2N3O3C20H21 (1)
Stoich.:	A2B3C3D20E21 (1)
Weight, g/mol:	401.069026
ΔH_f, kcal/mol:	-46.9
Dipole, Da:	3.63
IP(EA), eV:	-8.3(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC2=C(C3=C(S2)CCC3)C(=N1)SCC(=O)NC4=CC(=C(C=C4)OC)OC

DOS

IR

Vibrations