Geometry & MOs

Info

ID:	424965
PubChem CID:	135124615
Reduced:	OSC5H12 (1)
Stoich.:	ABC5D12 (1)
Weight, g/mol:	562.27261
ΔH_f, kcal/mol:	-68.59
Dipole, Da:	3.76
IP(EA), eV:	-9.12(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[3-[[(4R)-4-ethyl-1,1-dioxo-3,4-dihydropyrido[2,3-b][1,4,5]oxathiazepin-2-yl]methyl]-4-methylphenyl]-1-(1-ethyl-4-methylbenzotriazol-5-yl)-2-methylpropan-2-amine

Drug info:

PubChemData

Smile

CC[C@@H](CCO)S

DOS

IR

Vibrations