Geometry & MOs

Info

ID:	235129
PubChem CID:	92304095
Reduced:	SO5C7H14 (1)
Stoich.:	AB5C7D14 (1)
Weight, g/mol:	188.094963
ΔH_f, kcal/mol:	-233.38
Dipole, Da:	2.88
IP(EA), eV:	-9.14(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-cyanopropyl]benzamide

Drug info:

PubChemData

Smile

CO[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)CO)S)O)O

DOS

IR

Vibrations