Geometry & MOs

Info

ID:	217791
PubChem CID:	85088394
Reduced:	IN2O4C14H17 (1)
Stoich.:	AB2C4D14E17 (1)
Weight, g/mol:	400.109293
ΔH_f, kcal/mol:	-70.3
Dipole, Da:	6.76
IP(EA), eV:	-9.33(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,11-dioxospiro[10-oxa-6-thia-2-azatricyclo[6.3.0.02,5]undec-1(8)-ene-9,2'-oxane]-4-yl)-2-phenylacetamide

Drug info:

PubChemData

Smile

CCC1C(NC(=O)C(C1OC2=CC=CC(=C2)[N+](=O)[O-])I)C

DOS

IR

Vibrations