Geometry & MOs

Info

ID:	192444
PubChem CID:	78270221
Reduced:	SN2O3C14H16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	315.126416
ΔH_f, kcal/mol:	-93.49
Dipole, Da:	7.54
IP(EA), eV:	-9.44(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(4-chlorophenyl)methyl-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]azanium

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)SC3=NC(=NC(=O)C23)CCC(=O)O

DOS

IR

Vibrations