Geometry & MOs

Info

ID:	34324
PubChem CID:	7890766
Reduced:	SN3O3C21H21 (1)
Stoich.:	AB3C3D21E21 (1)
Weight, g/mol:	410.094786
ΔH_f, kcal/mol:	-57.59
Dipole, Da:	6.3
IP(EA), eV:	-8.49(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)[C@@H](C)OC(=O)C3=CC=C(C=C3)N

DOS

IR

Vibrations