Geometry & MOs

Info

ID:	95246
PubChem CID:	50007455
Reduced:	F2O4N5C30H31 (1)
Stoich.:	A2B4C5D30E31 (1)
Weight, g/mol:	505.268905
ΔH_f, kcal/mol:	-196.94
Dipole, Da:	3.01
IP(EA), eV:	-9.24(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]-N-[4-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NC3=CC=CC(=C3)C(=O)NC4=C(C=C(C=C4)F)F

DOS

IR

Vibrations