Geometry & MOs

Info

ID:	242753
PubChem CID:	99206095
Reduced:	NO5C26H27 (1)
Stoich.:	AB5C26D27 (1)
Weight, g/mol:	442.92769
ΔH_f, kcal/mol:	-136.17
Dipole, Da:	6.73
IP(EA), eV:	-8.57(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-methyl-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCC2=CC=C(O2)C(=O)N3CCC(CC3)C(=O)C4=CC=C(C=C4)O)C

DOS

IR

Vibrations