Geometry & MOs

Info

ID:	235989
PubChem CID:	92711314
Reduced:	ClN2O2H17C19 (1)
Stoich.:	AB2C2D17E19 (1)
Weight, g/mol:	471.138341
ΔH_f, kcal/mol:	-16.68
Dipole, Da:	1.95
IP(EA), eV:	-9.34(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-acetyl-N-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide

Drug info:

PubChemData

Smile

C[C@H](CNC(=O)C1=C(OC=N1)C2=CC(=CC=C2)Cl)C3=CC=CC=C3

DOS

IR

Vibrations