Geometry & MOs

Info

ID:	310495
PubChem CID:	126580833
Reduced:	NSC12H23 (1)
Stoich.:	ABC12D23 (1)
Weight, g/mol:	228.986735
ΔH_f, kcal/mol:	-6.22
Dipole, Da:	2.13
IP(EA), eV:	-8.69(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(methyldisulfanyl)-2-nitrosobenzoic acid

Drug info:

PubChemData

Smile

CCC(CC)(C=C)C1(C(CS1)(C)N)C

DOS

IR

Vibrations