Geometry & MOs

Info

ID:	302274
PubChem CID:	124360969
Reduced:	N4O5C18H32 (1)
Stoich.:	A4B5C18D32 (1)
Weight, g/mol:	413.195071
ΔH_f, kcal/mol:	-275.0
Dipole, Da:	6.23
IP(EA), eV:	-9.74(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[6-[(10aR)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]hexanoyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)NCC1CCC(CC1)C(=O)N[C@@H](CC(=O)N)C(=O)O)N

DOS

IR

Vibrations