Geometry & MOs

Info

ID:	302247
PubChem CID:	124360887
Reduced:	N4O6C21H26 (1)
Stoich.:	A4B6C21D26 (1)
Weight, g/mol:	389.1223
ΔH_f, kcal/mol:	-261.17
Dipole, Da:	10.58
IP(EA), eV:	-9.78(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C[C@H](C(=O)N1CCC[C@@H]1C(=O)O)NC(=O)CN2C(=O)C3=CC=CC=C3NC2=O

DOS

IR

Vibrations