Geometry & MOs

Info

ID:	235353
PubChem CID:	92309572
Reduced:	N2O3C22H24 (1)
Stoich.:	A2B3C22D24 (1)
Weight, g/mol:	398.184172
ΔH_f, kcal/mol:	-91.88
Dipole, Da:	3.98
IP(EA), eV:	-8.48(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(1R,5S,6R,7S)-4-oxo-6-[(4-propan-2-ylphenyl)carbamoyl]-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-3-yl]acetate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)[C@@H]2[C@H]3CCCCN3C(=O)C4=CC=CC=C24

DOS

IR

Vibrations