Geometry & MOs

Info

ID:	197621
PubChem CID:	78983838
Reduced:	IN2O4C12H13 (1)
Stoich.:	AB2C4D12E13 (1)
Weight, g/mol:	365.88991
ΔH_f, kcal/mol:	-52.26
Dipole, Da:	6.44
IP(EA), eV:	-8.86(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(3-bromothiophen-2-yl)methylamino]-4-chloro-1,3-thiazole-5-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1CCN(C1)C2=C(C=C(C=C2)I)[N+](=O)[O-]

DOS

IR

Vibrations