Geometry & MOs

Info

ID:	105480
PubChem CID:	50111012
Reduced:	O4N5C27H35 (1)
Stoich.:	A4B5C27D35 (1)
Weight, g/mol:	493.268905
ΔH_f, kcal/mol:	-156.36
Dipole, Da:	5.8
IP(EA), eV:	-8.41(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-carbamoyl-2-methylanilino)-1-oxopropan-2-yl]-N-[3-methyl-4-(propanoylamino)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)NC(=O)C(C)C

DOS

IR

Vibrations