Geometry & MOs

Info

ID:	146940
PubChem CID:	53774826
Reduced:	ClN2C11H13 (1)
Stoich.:	AB2C11D13 (1)
Weight, g/mol:	507.194026
ΔH_f, kcal/mol:	30.27
Dipole, Da:	5.04
IP(EA), eV:	-9.26(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[5-(3,4-dimethoxyphenyl)-6-ethyl-2-oxo-6H-1,3,4-thiadiazin-3-yl]-2-phenylethyl]-2H-pyrazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC2(CC1CN2)C3=CN=C(C=C3)Cl

DOS

IR

Vibrations