Geometry & MOs

Info

ID:	122816
PubChem CID:	50823026
Reduced:	S2O3N4H18C20 (1)
Stoich.:	A2B3C4D18E20 (1)
Weight, g/mol:	459.194026
ΔH_f, kcal/mol:	5.89
Dipole, Da:	7.17
IP(EA), eV:	-8.75(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-[4-methyl-3-(4-propylpiperazin-1-yl)sulfonylphenyl]-6,7-dihydro-1H-pyrazolo[1,5-a][1,3]diazepine-5,8-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NOC(=N3)C4=C(N=C(S4)C)C

DOS

IR

Vibrations