Geometry & MOs

Info

ID:	107554
PubChem CID:	50208705
Reduced:	O4N5C29H39 (1)
Stoich.:	A4B5C29D39 (1)
Weight, g/mol:	575.254397
ΔH_f, kcal/mol:	-172.89
Dipole, Da:	10.18
IP(EA), eV:	-8.62(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-fluoro-5-[(3-methoxybenzoyl)amino]phenyl]-1-[2-[2-methyl-4-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=CC(=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)NC)C)C

DOS

IR

Vibrations