Geometry & MOs

Info

ID:	173972
PubChem CID:	75707092
Reduced:	N2O3C25H34 (1)
Stoich.:	A2B3C25D34 (1)
Weight, g/mol:	504.262422
ΔH_f, kcal/mol:	-117.53
Dipole, Da:	5.71
IP(EA), eV:	-9.34(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzodioxol-5-yl)-2-[furan-2-ylmethyl-(2-phenylacetyl)amino]-N-(2,4,4-trimethylpentan-2-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C(C1CCCCC1)N(CC2=CC=CO2)C(=O)CC3=CC=CC=C3

DOS

IR

Vibrations