Geometry & MOs

Info

ID:	263243
PubChem CID:	103348814
Reduced:	N2O4C11H12 (1)
Stoich.:	A2B4C11D12 (1)
Weight, g/mol:	317.086784
ΔH_f, kcal/mol:	-138.65
Dipole, Da:	10.23
IP(EA), eV:	-10.06(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclopropylsulfonyl-5-N-(oxan-3-ylmethyl)-1,2-thiazole-3,5-diamine

Drug info:

PubChemData

Smile

COC1=CC=CC(=N1)C2CC(=O)NC2C(=O)O

DOS

IR

Vibrations