Geometry & MOs

Info

ID:	302249
PubChem CID:	124360893
Reduced:	SN3O4C25H37 (1)
Stoich.:	AB3C4D25E37 (1)
Weight, g/mol:	403.13795
ΔH_f, kcal/mol:	-192.26
Dipole, Da:	1.81
IP(EA), eV:	-9.26(-0.98)
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]pentanedioic acid

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)NCCCOC(C)C)NC(=O)[C@H]1C(S[C@@H]2N1C(=O)C3=CC=CC=C23)(C)C

DOS

IR

Vibrations