Geometry & MOs

Info

ID:	221326
PubChem CID:	85267674
Reduced:	SN2O2H20C24 (1)
Stoich.:	AB2C2D20E24 (1)
Weight, g/mol:	401.087435
ΔH_f, kcal/mol:	39.89
Dipole, Da:	2.56
IP(EA), eV:	-8.63(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-thia-16-azaheptacyclo[15.12.0.02,14.03,12.06,11.018,23.024,29]nonacosa-2(14),3(12),4,6,8,10,16,18,20,22,24,26,28-tridecaen-15-one

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C=C(C(=O)C2=CC=CC=C2)SC3=NC4=CC=CC=C4N3

DOS

IR

Vibrations