Geometry & MOs

Info

ID:	190586
PubChem CID:	78024746
Reduced:	NO5C15H29 (1)
Stoich.:	AB5C15D29 (1)
Weight, g/mol:	590.259915
ΔH_f, kcal/mol:	-267.88
Dipole, Da:	3.5
IP(EA), eV:	-10.0(0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-aminopropanoylamino)-N-[5-(3,5-difluorophenyl)sulfinyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide

Drug info:

PubChemData

Smile

CCC(C)(CC(C)C)C(=O)NC1C(OCC(C1O)O)CO

DOS

IR

Vibrations