Geometry & MOs

Info

ID:	231628
PubChem CID:	87574331
Reduced:	ClON3C25H30 (1)
Stoich.:	ABC3D25E30 (1)
Weight, g/mol:	202.016061
ΔH_f, kcal/mol:	12.34
Dipole, Da:	4.65
IP(EA), eV:	-8.42(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-[(5-amino-1,2,4-thiadiazol-3-yl)methoxyimino]acetic acid

Drug info:

PubChemData

Smile

C1CC(CN(C1)N2C[C@H]([C@]3(C2)CCCC4=C3C=CC(=N4)Cl)C=O)CC5=CC=CC=C5

DOS

IR

Vibrations