Geometry & MOs

Info

ID:	305645
PubChem CID:	124963581
Reduced:	SN2O3C14H20 (1)
Stoich.:	AB2C3D14E20 (1)
Weight, g/mol:	370.119654
ΔH_f, kcal/mol:	-100.94
Dipole, Da:	3.16
IP(EA), eV:	-9.1(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-imidazol-1-ylethanone

Drug info:

PubChemData

Smile

C1CN(C[C@]1(CN2CCOCC2)O)C(=O)C3=CSC=C3

DOS

IR

Vibrations