Geometry & MOs

Info

ID:	165347
PubChem CID:	74535685
Reduced:	ClFSN4O5H15C19 (1)
Stoich.:	ABCD4E5F15G19 (1)
Weight, g/mol:	475.133911
ΔH_f, kcal/mol:	-83.51
Dipole, Da:	4.95
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.138833
Charge, e:	-1

Chem-info

IUPAC name:

[4-(dimethylsulfamoyl)phenyl]-[2-(4-fluorophenyl)-1-(3-methoxypropyl)-4,5-dioxopyrrolidin-3-ylidene]methanolate

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C2CC(=NC(=NC3=CC(=C(C=C3)F)Cl)S2)[O-]

DOS

IR

Vibrations