Geometry & MOs

Info

ID:	437021
PubChem CID:	135213811
Reduced:	ON3C21H27 (1)
Stoich.:	AB3C21D27 (1)
Weight, g/mol:	426.19032
ΔH_f, kcal/mol:	-16.15
Dipole, Da:	3.3
IP(EA), eV:	-8.68(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[2-(1-hydroxy-3-oxo-1H-4,7-epoxyisoindol-2-yl)ethyl]urea

Drug info:

PubChemData

Smile

C[C@H](CC1=CC=CC=C1)NC(=O)NC[C@@H]2CC3=CC=CC=C3CN2C

DOS

IR

Vibrations