Geometry & MOs

Info

ID:	134723
PubChem CID:	51745439
Reduced:	N2O5C25H28 (1)
Stoich.:	A2B5C25D28 (1)
Weight, g/mol:	480.226037
ΔH_f, kcal/mol:	-127.58
Dipole, Da:	4.55
IP(EA), eV:	-8.8(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(1,3-benzodioxol-5-yl)-2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]-N-(furan-2-ylmethyl)furan-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@H](C(=O)NC2CCCCC2)N(CC3=CC=CO3)C(=O)C4=CC=CO4

DOS

IR

Vibrations