Geometry & MOs

Info

ID:	240539
PubChem CID:	93581335
Reduced:	NS2O5C21H27 (1)
Stoich.:	AB2C5D21E27 (1)
Weight, g/mol:	485.08305
ΔH_f, kcal/mol:	-173.45
Dipole, Da:	7.78
IP(EA), eV:	-8.87(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(2R)-3-[(2,4-dichlorophenyl)methyl-[(3R)-1,1-dioxothiolan-3-yl]amino]-2-hydroxypropoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

CC1=C(SC=C1)CN(C[C@H](COC2=CC=CC=C2C(=O)C)O)[C@@H]3CCS(=O)(=O)C3

DOS

IR

Vibrations