Geometry & MOs

Info

ID:	195088
PubChem CID:	78632616
Reduced:	FNSO2C19H22 (1)
Stoich.:	ABCD2E19F22 (1)
Weight, g/mol:	407.115107
ΔH_f, kcal/mol:	-105.58
Dipole, Da:	2.86
IP(EA), eV:	-8.52(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)-3-methylsulfanylpropanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations