Geometry & MOs

Info

ID:	156653
PubChem CID:	56371547
Reduced:	FOS2N5C18H20 (1)
Stoich.:	ABC2D5E18F20 (1)
Weight, g/mol:	450.175933
ΔH_f, kcal/mol:	1.0
Dipole, Da:	3.43
IP(EA), eV:	-8.91(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-methyl-2-[2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)C1=NN=C(N1C)SC(C)C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)F

DOS

IR

Vibrations