Geometry & MOs

Info

ID:	33336
PubChem CID:	7886000
Reduced:	SO2N3C16H21 (1)
Stoich.:	AB2C3D16E21 (1)
Weight, g/mol:	319.135448
ΔH_f, kcal/mol:	-69.38
Dipole, Da:	3.67
IP(EA), eV:	-8.83(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)-N-[(2S)-pentan-2-yl]acetamide

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)CN1C=NC2=C(C1=O)C3=C(S2)CCC3

DOS

IR

Vibrations