Geometry & MOs

Info

ID:	186695
PubChem CID:	77468398
Reduced:	N2O9C28H52 (1)
Stoich.:	A2B9C28D52 (1)
Weight, g/mol:	500.158135
ΔH_f, kcal/mol:	-463.99
Dipole, Da:	2.42
IP(EA), eV:	-9.2(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-difluorophenyl)-3-[[6,6-dimethyl-4,4-dioxo-5-(4-phenylphenyl)-5H-1,4,3-oxathiazin-2-yl]amino]propan-1-ol

Drug info:

PubChemData

Smile

CCC1C(C(C(NCC(CC(C(C(=C(C(C(=O)O1)C)O)C)OC2C(C(CC(O2)C)NC)O)(C)O)C)C)O)(C)O

DOS

IR

Vibrations