Geometry & MOs

Info

ID:	325584
PubChem CID:	126684063
Reduced:	N3C16H23 (1)
Stoich.:	A3B16C23 (1)
Weight, g/mol:	323.051067
ΔH_f, kcal/mol:	27.34
Dipole, Da:	2.83
IP(EA), eV:	-7.86(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[[1,3-bis(methylsulfanyl)imidazol-2-ylidene]amino]diazenyl]benzoic acid

Drug info:

PubChemData

Smile

CCCCN1C=CN(C1=N)C2=C(C=C(C=C2C)C)C

DOS

IR

Vibrations