Geometry & MOs

Info

ID:	307635
PubChem CID:	125307861
Reduced:	ISP3N5O12C19H21 (1)
Stoich.:	ABC3D5E12F19G21 (1)
Weight, g/mol:	343.083602
ΔH_f, kcal/mol:	-623.12
Dipole, Da:	5.23
IP(EA), eV:	-8.98(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[(3-chlorophenyl)diazenyl]-1,3,5,6,7,8-hexahydropyrazolo[5,1-b]quinazoline-2,9-dione

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](O[C@@H]1N2C=NC3=C2N=C(N4C3=NC=C4)SCC5=CC=C(C=C5)I)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O

DOS

IR

Vibrations