Geometry & MOs

Info

ID:	240373
PubChem CID:	93578019
Reduced:	NSO3C20H27 (1)
Stoich.:	ABC3D20E27 (1)
Weight, g/mol:	361.171165
ΔH_f, kcal/mol:	-90.46
Dipole, Da:	3.14
IP(EA), eV:	-8.75(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(3-methylthiophen-2-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-phenoxypropan-2-ol

Drug info:

PubChemData

Smile

CC1=C(SC=C1)CN(C[C@@H]2CCCO2)C[C@@H](COC3=CC=CC=C3)O

DOS

IR

Vibrations