Geometry & MOs

Info

ID:	167855
PubChem CID:	74886446
Reduced:	ClN4O5C11H11 (1)
Stoich.:	AB4C5D11E11 (1)
Weight, g/mol:	216.012412
ΔH_f, kcal/mol:	-167.31
Dipole, Da:	7.59
IP(EA), eV:	-9.39(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chlorothiophen-2-yl)-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1C(=O)O)Cl)NC2C(=O)NC(=O)NN2

DOS

IR

Vibrations