Geometry & MOs

Info

ID:	416937
PubChem CID:	135090830
Reduced:	SN3O4C13H21 (1)
Stoich.:	AB3C4D13E21 (1)
Weight, g/mol:	339.194677
ΔH_f, kcal/mol:	-158.53
Dipole, Da:	6.12
IP(EA), eV:	-9.22(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-N-(2-phenylethyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=CN1)C(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C

DOS

IR

Vibrations