Geometry & MOs

Info

ID:	62900
PubChem CID:	26737546
Reduced:	O3N4C23H26 (1)
Stoich.:	A3B4C23D26 (1)
Weight, g/mol:	459.18145
ΔH_f, kcal/mol:	-34.56
Dipole, Da:	2.48
IP(EA), eV:	-8.29(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2,2-dioxo-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbohydrazide

Drug info:

PubChemData

Smile

C1CN(CCN1CCC(=O)NNC(=O)C2=CC3=CC=CC=C3OC2)C4=CC=CC=C4

DOS

IR

Vibrations