Geometry & MOs

Info

ID:	302262
PubChem CID:	124360926
Reduced:	NO7C23H29 (1)
Stoich.:	AB7C23D29 (1)
Weight, g/mol:	415.210721
ΔH_f, kcal/mol:	-308.36
Dipole, Da:	6.81
IP(EA), eV:	-9.28(-0.89)
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-methylbutanoic acid

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)O)NC(=O)COC1=C2C(=CC(=O)OC2=C3CCC(OC3=C1)(C)C)C

DOS

IR

Vibrations