Geometry & MOs

Info

ID:	58725
PubChem CID:	24714780
Reduced:	N3O4C16H19 (1)
Stoich.:	A3B4C16D19 (1)
Weight, g/mol:	335.166748
ΔH_f, kcal/mol:	-50.94
Dipole, Da:	3.73
IP(EA), eV:	-8.96(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-[[2-hydroxypropyl(2-methylpropyl)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

C=CCCC(CNCC1=NC(=NO1)C2=CC3=C(C=C2)OCO3)O

DOS

IR

Vibrations