Geometry & MOs

Info

ID:	94831
PubChem CID:	50004126
Reduced:	FO4N5C29H38 (1)
Stoich.:	AB4C5D29E38 (1)
Weight, g/mol:	535.315855
ΔH_f, kcal/mol:	-209.87
Dipole, Da:	3.8
IP(EA), eV:	-9.19(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[2-(4-methylanilino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC(=CC=C3)F

DOS

IR

Vibrations