Geometry & MOs

Info

ID:	192333
PubChem CID:	78257202
Reduced:	SN2O4C28H28 (1)
Stoich.:	AB2C4D28E28 (1)
Weight, g/mol:	441.208613
ΔH_f, kcal/mol:	-40.74
Dipole, Da:	3.0
IP(EA), eV:	-8.39(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(11-benzyl-10,12-dioxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodec-2(6)-en-9-yl)-N,N-dipropylacetamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CC=C)OCCOC2=CC=CC(=C2)C3=NC(=O)C4C5=C(CCCC5)SC4=N3

DOS

IR

Vibrations