Geometry & MOs

Info

ID:	106625
PubChem CID:	50171023
Reduced:	FN2O2C13H15 (2)
Stoich.:	AB2C2D13E15 (2)
Weight, g/mol:	514.236225
ΔH_f, kcal/mol:	-225.85
Dipole, Da:	7.24
IP(EA), eV:	-8.96(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-methyl-4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=C(C=C4)F)F

DOS

IR

Vibrations