Geometry & MOs

Info

ID:	302243
PubChem CID:	124360860
Reduced:	N2O7C28H32 (1)
Stoich.:	A2B7C28D32 (1)
Weight, g/mol:	421.163771
ΔH_f, kcal/mol:	-281.83
Dipole, Da:	6.78
IP(EA), eV:	-9.28(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=O)OC2=C1C=CC(=C2C)O)CCC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](C(C)C)C(=O)O

DOS

IR

Vibrations