Geometry & MOs

Info

ID:	115760
PubChem CID:	50533225
Reduced:	ClFO4N5C29H29 (1)
Stoich.:	ABC4D5E29F29 (1)
Weight, g/mol:	541.209197
ΔH_f, kcal/mol:	-162.31
Dipole, Da:	6.85
IP(EA), eV:	-8.96(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3-carbamoyl-4-chloroanilino)-1-oxopropan-2-yl]-N-[4-(morpholine-4-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)N)N2CCC(CC2)C(=O)NC3=CC=CC(=C3)C(=O)NC4=CC=C(C=C4)F

DOS

IR

Vibrations