Geometry & MOs

Info

ID:	140295
PubChem CID:	52678706
Reduced:	ClN2O2C20H24 (1)
Stoich.:	AB2C2D20E24 (1)
Weight, g/mol:	423.128649
ΔH_f, kcal/mol:	-37.29
Dipole, Da:	7.87
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.859998
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]methyl]-1,3-thiazole-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1[C@H]2CCC[NH+]2CC(=O)NC3=C(C=CC(=C3)Cl)OC

DOS

IR

Vibrations