Geometry & MOs

Info

ID:	217543
PubChem CID:	85087976
Reduced:	NSO3C21H27 (1)
Stoich.:	ABC3D21E27 (1)
Weight, g/mol:	373.02879
ΔH_f, kcal/mol:	-89.21
Dipole, Da:	5.15
IP(EA), eV:	-9.84(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-chlorophenyl)methyl]-4-[(4-nitrophenyl)methylidene]-5-sulfanylideneimidazolidin-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)C(=C2CCC3(CCCC(C3C2)(C)O)C)[N+]#[C-]

DOS

IR

Vibrations