Geometry & MOs

Info

ID:	197909
PubChem CID:	79014700
Reduced:	SO2N4C14H26 (1)
Stoich.:	AB2C4D14E26 (1)
Weight, g/mol:	223.0667
ΔH_f, kcal/mol:	-40.18
Dipole, Da:	6.22
IP(EA), eV:	-9.24(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dihydroxypropylsulfanylmethyl)benzonitrile

Drug info:

PubChemData

Smile

CC(C)CCN(C1CC1)S(=O)(=O)C2=CN(N=C2)CCNC

DOS

IR

Vibrations