Geometry & MOs

Info

ID:	106627
PubChem CID:	50171025
Reduced:	ClF3N4O4C27H30 (1)
Stoich.:	AB3C4D4E27F30 (1)
Weight, g/mol:	563.310769
ΔH_f, kcal/mol:	-303.69
Dipole, Da:	5.0
IP(EA), eV:	-8.99(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(butan-2-ylcarbamoyl)phenyl]-1-[2-[2-methyl-4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]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)Cl)C(F)(F)F

DOS

IR

Vibrations