Geometry & MOs

Info

ID:	315253
PubChem CID:	126625278
Reduced:	ClON2S3H7C12 (1)
Stoich.:	ABC2D3E7F12 (1)
Weight, g/mol:	582.356991
ΔH_f, kcal/mol:	62.53
Dipole, Da:	1.78
IP(EA), eV:	-9.37(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-[2-(7,7,9,17,19,19-hexamethyl-2-oxa-6,20-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3,5,10,12,15,21-heptaen-13-yl)imidazol-1-yl]hexanoate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)C2=C(SC(=N2)C3=NC=CO3)SS

DOS

IR

Vibrations