Geometry & MOs

Info

ID:	164979
PubChem CID:	74480367
Reduced:	N2O7C29H35 (1)
Stoich.:	A2B7C29D35 (1)
Weight, g/mol:	422.13521
ΔH_f, kcal/mol:	-217.01
Dipole, Da:	10.77
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.009051
Charge, e:	-1

Chem-info

IUPAC name:

2-[[4-(1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl)benzoyl]amino]-3-hydroxybutanoate

Drug info:

PubChemData

Smile

CCC(C(=O)NCCCCCC(=O)[O-])NC(=O)CCC1=C(C2=CC3=C(C=C2OC1=O)OC4=C3CCCC4)C

DOS

IR

Vibrations