Geometry & MOs

Info

ID:	195926
PubChem CID:	78749703
Reduced:	FNO5C21H22 (1)
Stoich.:	ABC5D21E22 (1)
Weight, g/mol:	414.091929
ΔH_f, kcal/mol:	-210.32
Dipole, Da:	6.87
IP(EA), eV:	-8.76(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(1,1-dioxothiolan-3-yl)sulfanylbenzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C(C)OC(=O)C=CC2=CC(=CC(=C2)OC)OC)F

DOS

IR

Vibrations