Geometry & MOs

Info

ID:	189203
PubChem CID:	77825755
Reduced:	SN3O5C21H27 (1)
Stoich.:	AB3C5D21E27 (1)
Weight, g/mol:	317.142722
ΔH_f, kcal/mol:	-194.11
Dipole, Da:	2.89
IP(EA), eV:	-8.5(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[1-(2-fluorophenyl)-3-hydroxypropan-2-yl]-N-methylcarbamate

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C(C(C(=O)NCCC2=CCCS2)O)O)C(=O)NC3=CC=CC=C3

DOS

IR

Vibrations