Geometry & MOs

Info

ID:	7643
PubChem CID:	73594
Reduced:	N2O3C20H22 (1)
Stoich.:	A2B3C20D22 (1)
Weight, g/mol:	338.163043
ΔH_f, kcal/mol:	33.82
Dipole, Da:	2.81
IP(EA), eV:	-8.36(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,11S,17S)-12-ethylidene-4-hydroxy-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2(7),3,5,9-tetraene-10-carboxylate

Drug info:

PubChemData

Smile

CC=C1CN2CC[C@@]34[C@@H]2C[C@@H]1C(=C3NC5=C4C=C(C=C5)O)C(=O)OC

DOS

IR

Vibrations