Geometry & MOs

Info

ID:	26508
PubChem CID:	650597
Reduced:	FOSN5C22H24 (1)
Stoich.:	ABCD5E22F24 (1)
Weight, g/mol:	398.098352
ΔH_f, kcal/mol:	2.61
Dipole, Da:	7.3
IP(EA), eV:	-8.54(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-ethyl-5-(3-methyl-1-phenylthieno[2,3-c]pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3CCCC3)CNC4=CC=C(C=C4)F

DOS

IR

Vibrations