Geometry & MOs

Info

ID:	302259
PubChem CID:	124360917
Reduced:	N4O5C16H20 (1)
Stoich.:	A4B5C16D20 (1)
Weight, g/mol:	403.174336
ΔH_f, kcal/mol:	-203.03
Dipole, Da:	7.06
IP(EA), eV:	-9.33(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)NCC(=O)O)NC(=O)N1CC(=O)NC2=CC=CC=C21

DOS

IR

Vibrations