Geometry & MOs

Info

ID:	134424
PubChem CID:	51694635
Reduced:	O7C22H30 (1)
Stoich.:	A7B22C30 (1)
Weight, g/mol:	373.200156
ΔH_f, kcal/mol:	-309.02
Dipole, Da:	11.48
IP(EA), eV:	-9.34(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R,6R,7R)-N-[(2S)-heptan-2-yl]-3-(5-methyl-1,2-oxazol-3-yl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide

Drug info:

PubChemData

Smile

CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC[C@@H](C)[C@H](CC(=O)O)O)O

DOS

IR

Vibrations