Geometry & MOs

Info

ID:	307444
PubChem CID:	125299957
Reduced:	SN3O4C15H19 (1)
Stoich.:	AB3C4D15E19 (1)
Weight, g/mol:	450.226705
ΔH_f, kcal/mol:	-138.41
Dipole, Da:	5.48
IP(EA), eV:	-9.4(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]-2-(5-phenylmethoxy-2H-indol-3-yl)acetic acid

Drug info:

PubChemData

Smile

CC1=NC(=O)NC(=O)[C@H]1S(=O)(=O)N[C@H](C)CCC2=CC=CC=C2

DOS

IR

Vibrations