Geometry & MOs

Info

ID:	115759
PubChem CID:	50533087
Reduced:	ClO4N5C28H34 (1)
Stoich.:	AB4C5D28E34 (1)
Weight, g/mol:	565.18921
ΔH_f, kcal/mol:	-149.95
Dipole, Da:	11.18
IP(EA), eV:	-8.95(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCCC2)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)N

DOS

IR

Vibrations