Geometry & MOs

Info

ID:	37905
PubChem CID:	8025445
Reduced:	ClSN4C17H17 (1)
Stoich.:	ABC4D17E17 (1)
Weight, g/mol:	267.102606
ΔH_f, kcal/mol:	95.08
Dipole, Da:	6.93
IP(EA), eV:	-9.04(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-3-[(2R)-1-hydroxybutan-2-yl]iminobutan-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN=C(N2N)S[C@H](C)C3=CC=CC=C3Cl

DOS

IR

Vibrations