Geometry & MOs

Info

ID:	104362
PubChem CID:	50104130
Reduced:	O4N5C27H35 (1)
Stoich.:	A4B5C27D35 (1)
Weight, g/mol:	549.331505
ΔH_f, kcal/mol:	-163.47
Dipole, Da:	4.43
IP(EA), eV:	-8.7(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[2-methyl-4-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)N)C

DOS

IR

Vibrations