Geometry & MOs

Info

ID:	33324
PubChem CID:	7885972
Reduced:	N2S2O3C15H18 (1)
Stoich.:	A2B2C3D15E18 (1)
Weight, g/mol:	301.088498
ΔH_f, kcal/mol:	-93.53
Dipole, Da:	2.29
IP(EA), eV:	-8.65(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-[(3,5-dimethyl-1,2-oxazol-4-yl)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=C(SC2=C1C(=O)N(C(=N2)S[C@@H](C)C(=O)OC)CC=C)C

DOS

IR

Vibrations