Geometry & MOs

Info

ID:	346400
PubChem CID:	127270904
Reduced:	OSN5C21H27 (1)
Stoich.:	ABC5D21E27 (1)
Weight, g/mol:	226.077599
ΔH_f, kcal/mol:	24.03
Dipole, Da:	5.58
IP(EA), eV:	-8.77(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methyl-1,3-oxazol-4-yl)-(1,4-thiazepan-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1)C(=O)N3CCN(CC3)CC4=CSC(=N4)C(C)(C)C)NN=C2

DOS

IR

Vibrations