Geometry & MOs

Info

ID:	354849
PubChem CID:	127287609
Reduced:	O3N5C19H29 (1)
Stoich.:	A3B5C19D29 (1)
Weight, g/mol:	345.125946
ΔH_f, kcal/mol:	-115.15
Dipole, Da:	3.42
IP(EA), eV:	-9.7(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-ylamino]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one

Drug info:

PubChemData

Smile

CC1=NC(=NO1)C(C)(C)NCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3

DOS

IR

Vibrations