Geometry & MOs

Info

ID:	326368
PubChem CID:	126687402
Reduced:	NSO2C25H33 (1)
Stoich.:	ABC2D25E33 (1)
Weight, g/mol:	367.214744
ΔH_f, kcal/mol:	-80.01
Dipole, Da:	2.75
IP(EA), eV:	-8.58(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3R,4S)-3-(hydroxymethyl)-4-(3-phenylpropyl)pyrrolidin-1-yl]-1-(4-hydroxyphenyl)propan-1-one

Drug info:

PubChemData

Smile

CC(N1C[C@H]2CC(C[C@H]2C1)(C3=CC=C(C=C3)C(C)(C)C)O)SC4=CC=C(C=C4)O

DOS

IR

Vibrations