Geometry & MOs

Info

ID:	216905
PubChem CID:	85086951
Reduced:	NOH7C10 (2)
Stoich.:	ABC7D10 (2)
Weight, g/mol:	314.036814
ΔH_f, kcal/mol:	44.61
Dipole, Da:	10.02
IP(EA), eV:	-8.37(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-methyl-5-[2-[4-methyl-5-(oxohydrazinylidene)-1,3,4-thiadiazol-2-yl]ethyl]-1,3,4-thiadiazol-2-ylidene]nitrous amide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)NC3=CC4=C5C=CC=CC5=NC(=O)C4=CC32

DOS

IR

Vibrations