Geometry & MOs

Info

ID:	186549
PubChem CID:	77443969
Reduced:	NSH13C16 (1)
Stoich.:	ABC13D16 (1)
Weight, g/mol:	484.182064
ΔH_f, kcal/mol:	82.66
Dipole, Da:	3.32
IP(EA), eV:	-8.24(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[5-(2-phenylsulfanylethyl)-1H-indole-3-carbonyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)SC=CC2=CC3=C(C=C2)NC=C3

DOS

IR

Vibrations