Geometry & MOs

Info

ID:	417419
PubChem CID:	135093625
Reduced:	ClNSO6C14H18 (1)
Stoich.:	ABCD6E14F18 (1)
Weight, g/mol:	389.195071
ΔH_f, kcal/mol:	-248.29
Dipole, Da:	6.62
IP(EA), eV:	-9.85(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,4-dimethoxyphenyl)methyl]-2-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)S(=O)(=O)N2CC[C@H]([C@H](C2)C(=O)O)O)Cl

DOS

IR

Vibrations