Geometry & MOs

Info

ID:	410584
PubChem CID:	135083384
Reduced:	SN2O7H10C14 (1)
Stoich.:	AB2C7D10E14 (1)
Weight, g/mol:	153.036068
ΔH_f, kcal/mol:	-128.32
Dipole, Da:	5.13
IP(EA), eV:	-10.64(-2.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl-(4-methyl-1,3-thiazol-2-yl)cyanamide

Drug info:

PubChemData

Smile

COC(=O)C1=C(SC(=N1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

DOS

IR

Vibrations