Geometry & MOs

Info

ID:	220522
PubChem CID:	85197653
Reduced:	NSO3C17H25 (1)
Stoich.:	ABC3D17E25 (1)
Weight, g/mol:	323.101371
ΔH_f, kcal/mol:	-121.5
Dipole, Da:	5.77
IP(EA), eV:	-9.62(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[bis(methylsulfanyl)methylideneamino]-phenylmethyl]-4,5-dimethyloxolan-2-one

Drug info:

PubChemData

Smile

CC1C(OC(N1S(=O)(=O)C2=CC=C(C=C2)C)(C)C)CCC=C

DOS

IR

Vibrations