Geometry & MOs

Info

ID:	302070
PubChem CID:	124349200
Reduced:	OC6H10 (2)
Stoich.:	AB6C10 (2)
Weight, g/mol:	272.079707
ΔH_f, kcal/mol:	-95.23
Dipole, Da:	0.89
IP(EA), eV:	-9.73(0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,3R,7S,8S,9R,10S,14R)-5,12-diazapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-ene-4,6,11,13-tetrone

Drug info:

PubChemData

Smile

C1/C=C/CC[C@@H]([C@H](CC/C=C/C1)O)O

DOS

IR

Vibrations