Geometry & MOs

Info

ID:	28368
PubChem CID:	827228
Reduced:	ClNSO2H16C17 (1)
Stoich.:	ABCD2E16F17 (1)
Weight, g/mol:	298.204513
ΔH_f, kcal/mol:	-58.66
Dipole, Da:	1.14
IP(EA), eV:	-8.83(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-pyrrolidin-1-ylpropanamide

Drug info:

PubChemData

Smile

CCOC(=O)N[C@H]1CC2=CC=CC=C2SC3=C1C=C(C=C3)Cl

DOS

IR

Vibrations