Geometry & MOs

Info

ID:	417761
PubChem CID:	135102663
Reduced:	N5O6C28H43 (1)
Stoich.:	A5B6C28D43 (1)
Weight, g/mol:	355.135448
ΔH_f, kcal/mol:	-283.2
Dipole, Da:	6.56
IP(EA), eV:	-8.96(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol

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)C(=O)C)C(C)C

DOS

IR

Vibrations