Geometry & MOs

Info

ID:	242807
PubChem CID:	99206433
Reduced:	S2O3N4C22H28 (1)
Stoich.:	A2B3C4D22E28 (1)
Weight, g/mol:	367.056152
ΔH_f, kcal/mol:	-67.51
Dipole, Da:	7.36
IP(EA), eV:	-8.43(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5-methylthiophen-2-yl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC[C@@H](C1=CC=CC=C1OCC(=O)NC)NC(=O)C2=CC3=C(S2)N=C(S3)N(CC)CC

DOS

IR

Vibrations