Geometry & MOs

Info

ID:	180935
PubChem CID:	76707724
Reduced:	NO3C18H29 (1)
Stoich.:	AB3C18D29 (1)
Weight, g/mol:	424.894311
ΔH_f, kcal/mol:	-139.49
Dipole, Da:	4.79
IP(EA), eV:	-9.61(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

chlorocopper;2,8,14-trithia-19,20,21-triazatetracyclo[13.3.1.13,7.19,13]henicosa-1(19),3(21),4,6,9(20),10,12,15,17-nonaene

Drug info:

PubChemData

Smile

CC1CC(C(OC1CC=C(C)C=O)C)NC(=O)C=CC(C)C

DOS

IR

Vibrations