Geometry & MOs

Info

ID:	307805
PubChem CID:	125309440
Reduced:	ClO2N3H16C18 (1)
Stoich.:	AB2C3D16E18 (1)
Weight, g/mol:	346.034037
ΔH_f, kcal/mol:	-6.4
Dipole, Da:	5.97
IP(EA), eV:	-8.98(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-ethylsulfanyl-2,3-dihydro-1,3,4-thiadiazol-5-yl]-2-[[(6R)-6-methyl-5-oxo-6H-1,2,4-triazin-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=C2CC(=NN2)C(=O)NC3=C(C(=CC=C3)Cl)C)C=C1

DOS

IR

Vibrations