Geometry & MOs

Info

ID:	323203
PubChem CID:	126673583
Reduced:	O4N5C22H25 (1)
Stoich.:	A4B5C22D25 (1)
Weight, g/mol:	438.124943
ΔH_f, kcal/mol:	-58.81
Dipole, Da:	3.04
IP(EA), eV:	-8.3(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4R,5S)-4-hydroxy-5-phenoxazin-10-yloxan-3-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C[C@@H]([C@H]([C@@H](C1)N2C3=CC=CC=C3OC4=CC=CC=C42)O)N=[N+]=[N-]

DOS

IR

Vibrations