Geometry & MOs

Info

ID:	208960
PubChem CID:	80607834
Reduced:	IOSN5C9H10 (1)
Stoich.:	ABCD5E9F10 (1)
Weight, g/mol:	295.07391
ΔH_f, kcal/mol:	49.3
Dipole, Da:	3.87
IP(EA), eV:	-9.31(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-4-methyl-5-nitropyridin-2-one

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(C=N1)CC2=NN=C(S2)NC)I

DOS

IR

Vibrations