Geometry & MOs

Info

ID:	234002
PubChem CID:	92297515
Reduced:	OSN2C10H11 (2)
Stoich.:	ABC2D10E11 (2)
Weight, g/mol:	265.204179
ΔH_f, kcal/mol:	-16.87
Dipole, Da:	7.7
IP(EA), eV:	-8.51(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@@H](C)N1C(=O)/C(=C\C2=C(N=C3C=CC=CN3C2=O)N4CCCC4)/SC1=S

DOS

IR

Vibrations