Geometry & MOs

Info

ID:	444504
PubChem CID:	135262681
Reduced:	SO2F3N5C25H26 (1)
Stoich.:	AB2C3D5E25F26 (1)
Weight, g/mol:	543.191581
ΔH_f, kcal/mol:	-127.15
Dipole, Da:	4.77
IP(EA), eV:	-8.57(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1H-indol-3-yl)hexan-2-yl]-2-[6-oxo-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-2-yl]-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CCCCC(CC1=CNC2=CC=CC=C21)NC(=O)C3=CN=C(S3)N4CCC5=NOC(=C5C4)C(F)(F)F

DOS

IR

Vibrations