Geometry & MOs

Info

ID:	307844
PubChem CID:	125309818
Reduced:	SN4O4C14H14 (1)
Stoich.:	AB4C4D14E14 (1)
Weight, g/mol:	479.097349
ΔH_f, kcal/mol:	-74.01
Dipole, Da:	2.28
IP(EA), eV:	-9.18(-2.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2H-indol-3-ylsulfonyl)-1-[(3S)-3-(4-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N=C(N=N1)SCC(=O)NC2=CC=CC(=C2)C(=O)OC

DOS

IR

Vibrations