Geometry & MOs

Info

ID:	417356
PubChem CID:	135092653
Reduced:	NSO5C14H19 (1)
Stoich.:	ABC5D14E19 (1)
Weight, g/mol:	360.204907
ΔH_f, kcal/mol:	-216.58
Dipole, Da:	5.81
IP(EA), eV:	-9.9(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[2-(3-propan-2-yloxyphenoxy)ethyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)S(=O)(=O)N2CC[C@@H]([C@H](C2)C(=O)O)O)C

DOS

IR

Vibrations