Geometry & MOs

Info

ID:	133179
PubChem CID:	51487249
Reduced:	S2N3O5C19H23 (1)
Stoich.:	A2B3C5D19E23 (1)
Weight, g/mol:	311.109233
ΔH_f, kcal/mol:	-170.02
Dipole, Da:	6.85
IP(EA), eV:	-9.3(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(C)C)OC(=O)C2=C(N=CC=C2)SC

DOS

IR

Vibrations