Geometry & MOs

Info

ID:	390365
PubChem CID:	134998707
Reduced:	NSO2C22H33 (1)
Stoich.:	ABC2D22E33 (1)
Weight, g/mol:	240.056863
ΔH_f, kcal/mol:	-62.23
Dipole, Da:	4.21
IP(EA), eV:	-8.09(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(NE,S)-N-[(4-nitrophenyl)methylidene]propane-2-sulfinamide

Drug info:

PubChemData

Smile

CC1(C2CCC1([C@@H]([C@@H]2[S@@](=O)/N=C/C3=CC=CC=C3)OCC(C)(C)C)C)C

DOS

IR

Vibrations