Geometry & MOs

Info

ID:	156682
PubChem CID:	56371682
Reduced:	S2O3N4C22H26 (1)
Stoich.:	A2B3C4D22E26 (1)
Weight, g/mol:	458.144633
ΔH_f, kcal/mol:	-70.37
Dipole, Da:	4.65
IP(EA), eV:	-8.83(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC(=C1C)C2=CC=CC=C2)NC(=O)CSC3=NN=C(N3C)C(C)C

DOS

IR

Vibrations