Geometry & MOs

Info

ID:	94628
PubChem CID:	50002791
Reduced:	N3O3C17H23 (2)
Stoich.:	A3B3C17D23 (2)
Weight, g/mol:	521.300205
ΔH_f, kcal/mol:	-248.35
Dipole, Da:	1.72
IP(EA), eV:	-8.2(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)OC)NC(=O)C

DOS

IR

Vibrations