Geometry & MOs

Info

ID:	105920
PubChem CID:	50142575
Reduced:	O4N5C33H39 (1)
Stoich.:	A4B5C33D39 (1)
Weight, g/mol:	573.275133
ΔH_f, kcal/mol:	-128.56
Dipole, Da:	9.88
IP(EA), eV:	-8.44(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(4-fluorobenzoyl)amino]phenyl]-1-[2-[2-methyl-4-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)C)C

DOS

IR

Vibrations