Geometry & MOs

Info

ID:	349348
PubChem CID:	127275135
Reduced:	SN2O5C17H30 (1)
Stoich.:	AB2C5D17E30 (1)
Weight, g/mol:	354.169191
ΔH_f, kcal/mol:	-233.49
Dipole, Da:	8.61
IP(EA), eV:	-9.25(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-1,4-oxazepane

Drug info:

PubChemData

Smile

CC1CN(CCCO1)CC(=O)N(CC2CCCO2)C3CCS(=O)(=O)C3

DOS

IR

Vibrations