Geometry & MOs

Info

ID:	323197
PubChem CID:	126673469
Reduced:	NO2C23H46 (1)
Stoich.:	AB2C23D46 (1)
Weight, g/mol:	507.107576
ΔH_f, kcal/mol:	-120.82
Dipole, Da:	3.93
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752895
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4R,5S)-4-hydroxy-5-phenoxazin-10-yloxan-3-yl]-6-(trifluoromethyl)pyridine-3-sulfonamide

Drug info:

PubChemData

Smile

CCCCCCCC/C=C\CCCCCCCC(=O)C(C[N+](C)(C)C)O

DOS

IR

Vibrations