Geometry & MOs

Info

ID:	135090
PubChem CID:	51812411
Reduced:	N2O5C25H32 (1)
Stoich.:	A2B5C25D32 (1)
Weight, g/mol:	484.220951
ΔH_f, kcal/mol:	-183.55
Dipole, Da:	2.74
IP(EA), eV:	-8.82(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[2-(1,3-benzodioxol-5-yl)acetyl]-propylamino]-N-cyclohexyl-2-(2,4,6-trihydroxyphenyl)acetamide

Drug info:

PubChemData

Smile

CCCN([C@@H](C1=CC(=CC=C1)OC)C(=O)NC(C)(C)C)C(=O)CC2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations