Geometry & MOs

Info

ID:	145160
PubChem CID:	53472679
Reduced:	NO2C27H43 (1)
Stoich.:	AB2C27D43 (1)
Weight, g/mol:	480.15145
ΔH_f, kcal/mol:	-54.95
Dipole, Da:	8.07
IP(EA), eV:	-8.65(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-cyclopropylpiperazin-1-yl)-N-[6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]-1,3-benzothiazol-2-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)CCCC(C)C1CCC2[C@@]1(CCC3C2NC(=O)CC4=CC(=O)CC[C@]34C)C

DOS

IR

Vibrations