Geometry & MOs

Info

ID:	141881
PubChem CID:	52945175
Reduced:	O3N4C28H30 (1)
Stoich.:	A3B4C28D30 (1)
Weight, g/mol:	414.133732
ΔH_f, kcal/mol:	-10.47
Dipole, Da:	4.36
IP(EA), eV:	-8.85(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-5-methyl-2-[[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@H]2C3CCCC(C3=NNC(=O)C4=CC=NC=C4)[C@H](N2)C5=CC=C(C=C5)OC

DOS

IR

Vibrations