Geometry & MOs

Info

ID:	392320
PubChem CID:	135014474
Reduced:	OC8H13 (2)
Stoich.:	AB8C13 (2)
Weight, g/mol:	376.142307
ΔH_f, kcal/mol:	-103.79
Dipole, Da:	1.3
IP(EA), eV:	-9.96(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1S,15S,17S,18S,19R)-4-oxo-22-oxa-3,13-diazahexacyclo[17.2.1.01,17.03,15.05,14.07,12]docosa-5,7,9,11,13,20-hexaene-18-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C(=C)CC[C@H]1CC(C[C@@H]1C=C)(C)C

DOS

IR

Vibrations