Geometry & MOs

Info

ID:	302296
PubChem CID:	124361119
Reduced:	N3O4C23H25 (1)
Stoich.:	A3B4C23D25 (1)
Weight, g/mol:	433.167142
ΔH_f, kcal/mol:	-112.46
Dipole, Da:	2.48
IP(EA), eV:	-8.58(-0.19)
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-methylsulfanylpropanoic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)NC(=O)[C@@H]2C[C@H]3CCCN3[C@]24C5=CC=CC=C5NC4=O

DOS

IR

Vibrations