Geometry & MOs

Info

ID:	156419
PubChem CID:	56370525
Reduced:	ClSN3C19H20 (1)
Stoich.:	ABC3D19E20 (1)
Weight, g/mol:	499.171182
ΔH_f, kcal/mol:	70.06
Dipole, Da:	4.84
IP(EA), eV:	-8.89(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methoxyphenyl)-2-[[2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=NN=C(N1C)SC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations