Geometry & MOs

Info

ID:	290538
PubChem CID:	104643522
Reduced:	BrOSN2C9H13 (1)
Stoich.:	ABCD2E9F13 (1)
Weight, g/mol:	165.08235
ΔH_f, kcal/mol:	-24.24
Dipole, Da:	4.81
IP(EA), eV:	-8.56(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-amino-3-(1-hydroxypropan-2-ylsulfanyl)propan-2-ol

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1N)Br)SCC(CN)O

DOS

IR

Vibrations