Geometry & MOs

Info

ID:	360649
PubChem CID:	127301294
Reduced:	O3N5C18H23 (1)
Stoich.:	A3B5C18D23 (1)
Weight, g/mol:	335.130363
ΔH_f, kcal/mol:	-58.43
Dipole, Da:	4.96
IP(EA), eV:	-9.29(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-[[[4-(hydroxymethyl)oxan-4-yl]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=CC2=C(C=C1)N3C(=NN=C3N(C2=O)C)CNC4(CCOCC4)CO

DOS

IR

Vibrations