Geometry & MOs

Info

ID:	235667
PubChem CID:	92710351
Reduced:	NOC16H25 (1)
Stoich.:	ABC16D25 (1)
Weight, g/mol:	320.119464
ΔH_f, kcal/mol:	-51.35
Dipole, Da:	2.46
IP(EA), eV:	-8.77(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@@H](CCC2CCCCC2)N

DOS

IR

Vibrations