Geometry & MOs

Info

ID:	240517
PubChem CID:	93581263
Reduced:	BrNSO5C22H26 (1)
Stoich.:	ABCD5E22F26 (1)
Weight, g/mol:	369.157623
ΔH_f, kcal/mol:	-167.1
Dipole, Da:	7.92
IP(EA), eV:	-9.16(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(2S)-3-[bis(furan-2-ylmethyl)amino]-2-hydroxypropoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=CC=CC=C1OC[C@H](CN(CC2=CC(=CC=C2)Br)[C@@H]3CCS(=O)(=O)C3)O

DOS

IR

Vibrations