Geometry & MOs

Info

ID:	368670
PubChem CID:	127329743
Reduced:	SN3O3C14H23 (1)
Stoich.:	AB3C3D14E23 (1)
Weight, g/mol:	389.177313
ΔH_f, kcal/mol:	-82.59
Dipole, Da:	3.47
IP(EA), eV:	-8.83(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-[4-(3-pyrrolidin-1-ylazepan-1-yl)sulfonylphenyl]-1,3-oxazole

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CS(=O)(=O)N2CCC(C2)N3CCCCC3

DOS

IR

Vibrations