Geometry & MOs

Info

ID:	156597
PubChem CID:	56371292
Reduced:	SO3N4C23H28 (1)
Stoich.:	AB3C4D23E28 (1)
Weight, g/mol:	434.108248
ΔH_f, kcal/mol:	-45.48
Dipole, Da:	5.37
IP(EA), eV:	-8.59(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(furan-2-yl)-2-[[2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)C1=NN=C(N1C)SCC(=O)NC(C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC

DOS

IR

Vibrations