Geometry & MOs

Info

ID:	425942
PubChem CID:	135133162
Reduced:	INO3C11H22 (1)
Stoich.:	ABC3D11E22 (1)
Weight, g/mol:	415.131425
ΔH_f, kcal/mol:	-163.19
Dipole, Da:	2.2
IP(EA), eV:	-9.7(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-4-[4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)phenyl]-1-ethyl-3-methyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile

Drug info:

PubChemData

Smile

CC[C@@H]([C@@H](CI)NC(=O)OC(C)(C)C)OC

DOS

IR

Vibrations