Geometry & MOs

Info

ID:	193698
PubChem CID:	78426068
Reduced:	Cl2S2O3N7H11C18 (1)
Stoich.:	A2B2C3D7E11F18 (1)
Weight, g/mol:	485.196214
ΔH_f, kcal/mol:	80.94
Dipole, Da:	12.37
IP(EA), eV:	-8.77(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl N-[(2R)-3-(1,3-dioxoisoindol-2-yl)-2-hydroxypropyl]-N-(3-fluoro-4-morpholin-4-ylphenyl)carbamate

Drug info:

PubChemData

Smile

CC1=NN=C(S1)C2=C3N=CC(=CN3N(C2=O)C#N)NS(=O)(=O)/C=C/C4=C(C=CC=C4Cl)Cl

DOS

IR

Vibrations