Geometry & MOs

Info

ID:	156505
PubChem CID:	56370908
Reduced:	OS2N5C20H25 (1)
Stoich.:	AB2C5D20E25 (1)
Weight, g/mol:	458.144633
ΔH_f, kcal/mol:	25.96
Dipole, Da:	9.91
IP(EA), eV:	-9.1(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C)C2=CSC(=N2)NC(=O)CSC3=NN=C(N3C)C(C)C)C

DOS

IR

Vibrations