Geometry & MOs

Info

ID:	91289
PubChem CID:	49974872
Reduced:	FN4O4C27H33 (1)
Stoich.:	AB4C4D27E33 (1)
Weight, g/mol:	615.285698
ΔH_f, kcal/mol:	-189.2
Dipole, Da:	4.85
IP(EA), eV:	-9.0(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]-1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations