Geometry & MOs

Info

ID:	271540
PubChem CID:	103682841
Reduced:	SN2O2C16H26 (1)
Stoich.:	AB2C2D16E26 (1)
Weight, g/mol:	304.064841
ΔH_f, kcal/mol:	-73.91
Dipole, Da:	4.44
IP(EA), eV:	-8.2(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-chloro-5-nitrophenyl)methylamino]-2-methyl-3-methylsulfanylpropan-2-ol

Drug info:

PubChemData

Smile

CC(CNCC1=CC=C(C=C1)N2CCOCC2)(CSC)O

DOS

IR

Vibrations