Geometry & MOs

Info

ID:	325797
PubChem CID:	126685008
Reduced:	FO4N5C25H26 (1)
Stoich.:	AB4C5D25E26 (1)
Weight, g/mol:	169.986007
ΔH_f, kcal/mol:	-54.35
Dipole, Da:	4.09
IP(EA), eV:	-8.9(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(disulfanyl)benzaldehyde

Drug info:

PubChemData

Smile

C1CC1CN(CC#CC2=NC3=C(N2)C(=O)N(C(N3C4CC4)O)C5CC5)C(=O)OC6=CC=C(C=C6)F

DOS

IR

Vibrations