Geometry & MOs

Info

ID:	186904
PubChem CID:	77503625
Reduced:	N2O7C16H18 (1)
Stoich.:	A2B7C16D18 (1)
Weight, g/mol:	485.184524
ΔH_f, kcal/mol:	-266.89
Dipole, Da:	4.08
IP(EA), eV:	-10.13(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3,4-dihydro-2H-quinolin-3-yl]-1,2,3,3a,4,7a-hexahydropyrazolo[3,4-d]pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

C1CN(C(=O)NC1=O)C2(C(C(C(O2)CO)O)O)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations