Geometry & MOs

Info

ID:	421935
PubChem CID:	135116869
Reduced:	O2N4C23H32 (1)
Stoich.:	A2B4C23D32 (1)
Weight, g/mol:	387.161663
ΔH_f, kcal/mol:	-51.85
Dipole, Da:	6.14
IP(EA), eV:	-8.69(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-9-(2-methyl-5-pyrazol-1-ylphenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undec-4-ene

Drug info:

PubChemData

Smile

CC(CCC(=O)N1CCCN(CC1)C(=O)C2=CC=CC=C2C#N)N3CCCCC3

DOS

IR

Vibrations