Geometry & MOs

Info

ID:	84123
PubChem CID:	49864323
Reduced:	SN3O5C16H23 (1)
Stoich.:	AB3C5D16E23 (1)
Weight, g/mol:	289.091
ΔH_f, kcal/mol:	-208.1
Dipole, Da:	7.65
IP(EA), eV:	-8.72(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-amino-5-[(3S)-3-(hydroxymethyl)-4,7-dioxo-1,2,5-oxadiazepan-2-yl]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CSCC[C@@H](C(=O)NCC(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)N

DOS

IR

Vibrations