Geometry & MOs

Info

ID:	58726
PubChem CID:	24714782
Reduced:	SO2N3C17H25 (1)
Stoich.:	AB2C3D17E25 (1)
Weight, g/mol:	319.135448
ΔH_f, kcal/mol:	-78.37
Dipole, Da:	1.78
IP(EA), eV:	-8.52(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-[[cyclopropyl(2-hydroxypropyl)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

CC(C)CN(CC1=NC2=C(C3=C(S2)CCC3)C(=O)N1)CC(C)O

DOS

IR

Vibrations