Geometry & MOs

Info

ID:	11766
PubChem CID:	120668
Reduced:	SN2O3C20H24 (1)
Stoich.:	AB2C3D20E24 (1)
Weight, g/mol:	372.150764
ΔH_f, kcal/mol:	-97.33
Dipole, Da:	1.95
IP(EA), eV:	-8.21(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,8-dioxa-7lambda4-thia-14,24-diazahexacyclo[12.11.0.03,12.04,9.017,25.018,23]pentacosa-17(25),18,20,22-tetraene 7-oxide

Drug info:

PubChemData

Smile

C1CC2C(COS(=O)O2)C3C1CN4CCC5=C(C4C3)NC6=CC=CC=C56

DOS

IR

Vibrations