Geometry & MOs

Info

ID:	302217
PubChem CID:	124360354
Reduced:	BrFO2N4H16C18 (1)
Stoich.:	ABC2D4E16F18 (1)
Weight, g/mol:	389.173942
ΔH_f, kcal/mol:	-42.1
Dipole, Da:	4.96
IP(EA), eV:	-9.09(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[(1S)-2-(furan-2-ylmethylamino)-2-oxo-1-phenylethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)NC1=C(C=C(C=C1)Br)F)N2C(=O)C3=CC=CC=C3N=N2

DOS

IR

Vibrations