Geometry & MOs

Info

ID:	319675
PubChem CID:	126656996
Reduced:	N3C17H35 (1)
Stoich.:	A3B17C35 (1)
Weight, g/mol:	447.131802
ΔH_f, kcal/mol:	-30.37
Dipole, Da:	2.81
IP(EA), eV:	-8.52(1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3S,8R,16S)-2-methyl-7-oxo-9-oxahexacyclo[12.3.1.01,3.04,16.08,16.010,15]octadeca-10,12,14-trien-11-yl] (4-nitrophenyl) carbonate

Drug info:

PubChemData

Smile

CC(C)CC(=NCCN(C)CCN=C(C)CC(C)C)C

DOS

IR

Vibrations