Geometry & MOs

Info

ID:	421642
PubChem CID:	135116337
Reduced:	ON2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	388.145678
ΔH_f, kcal/mol:	-39.08
Dipole, Da:	5.26
IP(EA), eV:	-8.9(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-9-[2-methyl-5-(1,2-oxazol-5-yl)phenyl]sulfonyl-1-oxa-9-azaspiro[5.5]undec-4-ene

Drug info:

PubChemData

Smile

CC(=O)NCC1=CN=C(C=C1)N2C[C@H]([C@H](C2)O)CC3=CC=NC=C3

DOS

IR

Vibrations