Geometry & MOs

Info

ID:	240352
PubChem CID:	93577955
Reduced:	NSO4C24H33 (1)
Stoich.:	ABC4D24E33 (1)
Weight, g/mol:	431.21303
ΔH_f, kcal/mol:	-150.28
Dipole, Da:	7.41
IP(EA), eV:	-8.77(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[(4-tert-butylphenyl)methyl-[(3R)-1,1-dioxothiolan-3-yl]amino]-3-phenoxypropan-2-ol

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)CN(C[C@@H](COC2=CC=CC=C2)O)[C@@H]3CCS(=O)(=O)C3

DOS

IR

Vibrations