Geometry & MOs

Info

ID:	150993
PubChem CID:	53790690
Reduced:	ClSN2H3C4 (1)
Stoich.:	ABC2D3E4 (1)
Weight, g/mol:	512.267508
ΔH_f, kcal/mol:	72.0
Dipole, Da:	2.91
IP(EA), eV:	-9.15(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-amino-3-[4-[3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1H-inden-2-yl]phenoxy]propanoate

Drug info:

PubChemData

Smile

C1C(C2=NN=C1S2)Cl

DOS

IR

Vibrations