Geometry & MOs

Info

ID:	105483
PubChem CID:	50111017
Reduced:	N5O5C29H37 (1)
Stoich.:	A5B5C29D37 (1)
Weight, g/mol:	509.243833
ΔH_f, kcal/mol:	-190.83
Dipole, Da:	7.51
IP(EA), eV:	-8.24(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]piperidine-4-carbonyl]-N-(3-fluorophenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)N)C

DOS

IR

Vibrations