Geometry & MOs

Info

ID:	222260
PubChem CID:	85295761
Reduced:	O5C15H18 (1)
Stoich.:	A5B15C18 (1)
Weight, g/mol:	278.08777
ΔH_f, kcal/mol:	-159.23
Dipole, Da:	2.16
IP(EA), eV:	-9.86(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

14-thia-1,12-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-3,5,7,12,15,17,19-heptaene

Drug info:

PubChemData

Smile

CC(=O)OC1C2C3CC(C2C(C4C1O4)OC(=O)C)C=C3

DOS

IR

Vibrations