Geometry & MOs

Info

ID:	263249
PubChem CID:	103349381
Reduced:	S2N4C13H18 (1)
Stoich.:	A2B4C13D18 (1)
Weight, g/mol:	317.086784
ΔH_f, kcal/mol:	62.18
Dipole, Da:	5.06
IP(EA), eV:	-8.44(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CSC(=N1)C2=C(SN=C2N)N(C)CC3CCC3

DOS

IR

Vibrations