Geometry & MOs

Info

ID:	416012
PubChem CID:	135089017
Reduced:	S2N5O7C32H47 (1)
Stoich.:	A2B5C7D32E47 (1)
Weight, g/mol:	365.173942
ΔH_f, kcal/mol:	-309.74
Dipole, Da:	7.58
IP(EA), eV:	-8.69(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](CN(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)OC)CC(C)C)S(=O)(=O)C3=C(SC(=C3)C)C)C(C)C

DOS

IR

Vibrations