Geometry & MOs

Info

ID:	393224
PubChem CID:	135019775
Reduced:	NO4H17C20 (1)
Stoich.:	AB4C17D20 (1)
Weight, g/mol:	498.111265
ΔH_f, kcal/mol:	-105.72
Dipole, Da:	1.16
IP(EA), eV:	-10.12(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9,10-dioxoanthracen-2-yl)methyl 2-[[3-(1,1,1-trifluoropropan-2-yl)phenyl]methylsulfanyl]acetate

Drug info:

PubChemData

Smile

CC(=O)CCCNC(=O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations