Geometry & MOs

Info

ID:	157946
PubChem CID:	56459335
Reduced:	SN3O5H19C20 (1)
Stoich.:	AB3C5D19E20 (1)
Weight, g/mol:	462.161329
ΔH_f, kcal/mol:	-161.42
Dipole, Da:	7.77
IP(EA), eV:	-8.81(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(thiophene-2-carbonylamino)phenyl] 2-(3-methylbutanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate

Drug info:

PubChemData

Smile

C1CC2(CCC1C(=O)OC3=CC=C(C=C3)NC(=O)C4=CC=CS4)C(=O)NC(=O)N2

DOS

IR

Vibrations