Geometry & MOs

Info

ID:	187154
PubChem CID:	77536670
Reduced:	SO4N6C35H38 (1)
Stoich.:	AB4C6D35E38 (1)
Weight, g/mol:	392.098391
ΔH_f, kcal/mol:	-42.43
Dipole, Da:	4.41
IP(EA), eV:	-8.66(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(1,3-dioxoisoindol-2-yl)-3-[2-(trifluoromethyl)phenyl]propan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC1=CSC(=N1)CNC(=O)C2=CC(=CC(=C2)C3=NC=CO3)C(=O)NC(CC4=CC=CC=C4)C(CN(C)C5=CN=CC(=C5)C(C)C)O

DOS

IR

Vibrations