Geometry & MOs

Info

ID:	162767
PubChem CID:	57567049
Reduced:	N2O4C29H30 (1)
Stoich.:	A2B4C29D30 (1)
Weight, g/mol:	586.42758
ΔH_f, kcal/mol:	-109.81
Dipole, Da:	5.72
IP(EA), eV:	-8.75(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-dodecylsulfanylcarbothioylsulfanyl-2-methylicosan-3-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OC2=C(C=C(C=C2)[C@@H]3CC(=O)N(C3)C4=CC=CC(=C4)C(=O)N)OC5CCCC5

DOS

IR

Vibrations