Geometry & MOs

Info

ID:	158078
PubChem CID:	56462784
Reduced:	OSF3N5H14C19 (1)
Stoich.:	ABC3D5E14F19 (1)
Weight, g/mol:	421.236542
ΔH_f, kcal/mol:	-78.92
Dipole, Da:	5.57
IP(EA), eV:	-8.93(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylbutanoyl)-N-[2-[(2-phenylacetyl)amino]ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=CN=C1SC2=C(C=C(C=C2)F)NC(=O)C3=CC4=C(C=C3)N=C(N4)C(F)F

DOS

IR

Vibrations