Geometry & MOs

Info

ID:	240378
PubChem CID:	93578035
Reduced:	NSO4C21H27 (1)
Stoich.:	ABC4D21E27 (1)
Weight, g/mol:	423.127107
ΔH_f, kcal/mol:	-135.89
Dipole, Da:	4.98
IP(EA), eV:	-8.74(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[(4-chlorophenyl)methyl-[(3R)-1,1-dioxothiolan-3-yl]amino]-3-(4-methylphenoxy)propan-2-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OC[C@H](CN(CC2=CC=CC=C2)[C@@H]3CCS(=O)(=O)C3)O

DOS

IR

Vibrations