Geometry & MOs

Info

ID:	58852
PubChem CID:	24714967
Reduced:	SN3O3C15H19 (1)
Stoich.:	AB3C3D15E19 (1)
Weight, g/mol:	293.119798
ΔH_f, kcal/mol:	-99.43
Dipole, Da:	5.93
IP(EA), eV:	-8.99(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-[[2-hydroxypropyl(methyl)amino]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)NC(=N2)CNCC=C)C(=O)OC(C)C

DOS

IR

Vibrations