Geometry & MOs

Info

ID:	348849
PubChem CID:	127274497
Reduced:	N2S2O5C15H22 (1)
Stoich.:	A2B2C5D15E22 (1)
Weight, g/mol:	240.093249
ΔH_f, kcal/mol:	-178.78
Dipole, Da:	3.21
IP(EA), eV:	-9.42(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methyl-1,4-oxazepan-4-yl)-(4-methyl-1,3-thiazol-5-yl)methanone

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)C2=CSC(=C2)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations