Geometry & MOs

Info

ID:	234011
PubChem CID:	92297531
Reduced:	BrNO2S2C12H12 (1)
Stoich.:	ABC2D2E12F12 (1)
Weight, g/mol:	265.204179
ΔH_f, kcal/mol:	-51.04
Dipole, Da:	1.52
IP(EA), eV:	-9.5(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[[(2S)-butan-2-yl]amino]-3-[(1S)-1-phenylpropoxy]propan-2-ol

Drug info:

PubChemData

Smile

CC[C@H](C)N1C(=O)/C(=C/C2=CC(=CS2)Br)/SC1=O

DOS

IR

Vibrations