Geometry & MOs

Info

ID:	120611
PubChem CID:	50736922
Reduced:	N5O5C33H39 (1)
Stoich.:	A5B5C33D39 (1)
Weight, g/mol:	523.279469
ΔH_f, kcal/mol:	-159.49
Dipole, Da:	6.83
IP(EA), eV:	-8.59(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-acetamido-3-methoxyphenyl)-1-[1-oxo-1-[2-(propylcarbamoyl)anilino]propan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)OC

DOS

IR

Vibrations