Geometry & MOs

Info

ID:	326354
PubChem CID:	126687378
Reduced:	NSO2C21H27 (1)
Stoich.:	ABC2D21E27 (1)
Weight, g/mol:	437.217778
ΔH_f, kcal/mol:	-66.13
Dipole, Da:	1.97
IP(EA), eV:	-8.81(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(3S,4R)-3-ethyl-4-[(2S)-2-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]pyrrolidin-1-yl]-1-hydroxyethyl]phenol

Drug info:

PubChemData

Smile

CC(CN1C[C@H]2CC(C[C@H]2C1)(CC3=CC=CS3)O)C4=CC=C(C=C4)O

DOS

IR

Vibrations