Geometry & MOs

Info

ID:	105341
PubChem CID:	50106962
Reduced:	FO5N6C29H37 (1)
Stoich.:	AB5C6D29E37 (1)
Weight, g/mol:	493.268905
ΔH_f, kcal/mol:	-253.08
Dipole, Da:	8.86
IP(EA), eV:	-8.87(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-anilino-3-methyl-1-oxobutan-2-yl)-1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)NC(=O)C(C)C)F

DOS

IR

Vibrations