Geometry & MOs

Info

ID:	240348
PubChem CID:	93577942
Reduced:	NSO4C21H27 (1)
Stoich.:	ABC4D21E27 (1)
Weight, g/mol:	389.16608
ΔH_f, kcal/mol:	-134.88
Dipole, Da:	6.02
IP(EA), eV:	-8.91(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN(C[C@@H](COC2=CC=CC=C2)O)[C@@H]3CCS(=O)(=O)C3

DOS

IR

Vibrations