Geometry & MOs

Info

ID:	242837
PubChem CID:	99213293
Reduced:	ClSO2N5C22H22 (1)
Stoich.:	ABC2D5E22F22 (1)
Weight, g/mol:	426.066573
ΔH_f, kcal/mol:	-0.03
Dipole, Da:	6.02
IP(EA), eV:	-8.9(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(4-methylphenyl)-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)N2CCC[C@@H](C2)C(=O)NC3=NN=C(S3)C4=CC=CC=C4Cl

DOS

IR

Vibrations