Geometry & MOs

Info

ID:	157547
PubChem CID:	56435651
Reduced:	S2O3N4C21H32 (1)
Stoich.:	A2B3C4D21E32 (1)
Weight, g/mol:	335.177982
ΔH_f, kcal/mol:	-98.55
Dipole, Da:	4.97
IP(EA), eV:	-8.83(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-ditert-butylpyrazol-3-yl)-4-ethylthiadiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NN(C(=C1)NC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCCC3)C(C)(C)C

DOS

IR

Vibrations