Geometry & MOs

Info

ID:	401348
PubChem CID:	135051031
Reduced:	PSN2O2H24C28 (1)
Stoich.:	ABC2D2E24F28 (1)
Weight, g/mol:	270.9973
ΔH_f, kcal/mol:	23.15
Dipole, Da:	6.32
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758125
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-methylsulfanylcarbothioyl-2-nitrobenzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NC(C(=O)N)C(=S)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations