Geometry & MOs

Info

ID:	240494
PubChem CID:	93580977
Reduced:	NSO5C26H35 (1)
Stoich.:	ABC5D26E35 (1)
Weight, g/mol:	447.100414
ΔH_f, kcal/mol:	-193.86
Dipole, Da:	6.42
IP(EA), eV:	-9.18(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2S)-3-[(2,4-dichlorophenyl)methyl-(furan-2-ylmethyl)amino]-2-hydroxypropoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations