Geometry & MOs

Info

ID:	302250
PubChem CID:	124360894
Reduced:	N3O7C19H21 (1)
Stoich.:	A3B7C19D21 (1)
Weight, g/mol:	403.13795
ΔH_f, kcal/mol:	-285.57
Dipole, Da:	6.11
IP(EA), eV:	-9.8(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[3-[(10aR)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]propanoylamino]pentanedioic acid

Drug info:

PubChemData

Smile

C1[C@H]2C(=O)N(C(=O)N2CC3=CC=CC=C31)CCC(=O)N[C@@H](CCC(=O)O)C(=O)O

DOS

IR

Vibrations