Geometry & MOs

Info

ID:	111552
PubChem CID:	50372251
Reduced:	SO4N6C26H36 (1)
Stoich.:	AB4C6D26E36 (1)
Weight, g/mol:	546.24539
ΔH_f, kcal/mol:	-126.64
Dipole, Da:	4.96
IP(EA), eV:	-8.92(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[2-methyl-3-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=NN=C(S3)C(C)C)C(=O)N4CCOCC4

DOS

IR

Vibrations