Geometry & MOs

Info

ID:	123301
PubChem CID:	50841107
Reduced:	S2O3N7H15C17 (1)
Stoich.:	A2B3C7D15E17 (1)
Weight, g/mol:	413.109251
ΔH_f, kcal/mol:	36.91
Dipole, Da:	5.88
IP(EA), eV:	-8.46(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[11-(dimethylamino)-12-thia-3,4,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,10-pentaen-5-yl]sulfanyl]-N-(4-ethylphenyl)acetamide

Drug info:

PubChemData

Smile

CN(C)C1=NC2=C(S1)C3=NN=C(N3C=N2)SCC(=O)NC4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations