Geometry & MOs

Info

ID:	93862
PubChem CID:	49997314
Reduced:	N5O5C31H43 (1)
Stoich.:	A5B5C31D43 (1)
Weight, g/mol:	587.290783
ΔH_f, kcal/mol:	-210.46
Dipole, Da:	5.38
IP(EA), eV:	-8.9(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[4-[(2-fluorobenzoyl)amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)OC)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC(C)CC)C

DOS

IR

Vibrations