Geometry & MOs

Info

ID:	105273
PubChem CID:	50106796
Reduced:	ClFO4N5C25H29 (1)
Stoich.:	ABC4D5E25F29 (1)
Weight, g/mol:	483.228183
ΔH_f, kcal/mol:	-203.88
Dipole, Da:	9.72
IP(EA), eV:	-8.99(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[3-(3-fluoroanilino)-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)F)Cl

DOS

IR

Vibrations