Geometry & MOs

Info

ID:	394389
PubChem CID:	135022900
Reduced:	O3N4C24H26 (1)
Stoich.:	A3B4C24D26 (1)
Weight, g/mol:	504.193023
ΔH_f, kcal/mol:	-43.9
Dipole, Da:	2.5
IP(EA), eV:	-8.61(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (4S,6S)-2,2-dioxo-4-phenyl-6-[3-(phenylmethoxycarbonylamino)propyl]oxathiazinane-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C2=CC=CC3=C2OC(CC3)C(=O)NC4=CC=C(C=C4)N5CCOCC5

DOS

IR

Vibrations