Geometry & MOs

Info

ID:	302424
PubChem CID:	124361684
Reduced:	N3O4C27H35 (1)
Stoich.:	A3B4C27D35 (1)
Weight, g/mol:	423.19582
ΔH_f, kcal/mol:	-178.77
Dipole, Da:	2.83
IP(EA), eV:	-8.72(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(10aR)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]-N-[(4-fluorophenyl)methyl]hexanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H]2CC3=CC=CC=C3CN2C(=O)OC(C)(C)C

DOS

IR

Vibrations