Geometry & MOs

Info

ID:	322548
PubChem CID:	126670468
Reduced:	ClON3C16H18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	330.082684
ΔH_f, kcal/mol:	1.8
Dipole, Da:	2.96
IP(EA), eV:	-8.43(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

18-ethyl-14-thia-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-8-one

Drug info:

PubChemData

Smile

C[C@]1(CNCCO1)C2=CC=C(C=C2)NC3=NC=C(C=C3)Cl

DOS

IR

Vibrations