Geometry & MOs

Info

ID:	421176
PubChem CID:	135115512
Reduced:	FON4C14H17 (1)
Stoich.:	ABC4D14E17 (1)
Weight, g/mol:	379.18173
ΔH_f, kcal/mol:	-32.31
Dipole, Da:	4.07
IP(EA), eV:	-9.03(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(4-methoxy-2,3,6-trimethylphenyl)sulfonyl-4-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)CC(C)NC2=NC=C(C(=N2)OC)F

DOS

IR

Vibrations