Geometry & MOs

Info

ID:	33484
PubChem CID:	7886695
Reduced:	N2O2S2C15H18 (1)
Stoich.:	A2B2C2D15E18 (1)
Weight, g/mol:	360.107854
ΔH_f, kcal/mol:	-56.65
Dipole, Da:	2.53
IP(EA), eV:	-8.66(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)acetamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CSC1=NC=NC2=C1C3=C(S2)CCC3

DOS

IR

Vibrations