Geometry & MOs

Info

ID:	137303
PubChem CID:	52186320
Reduced:	IN2O2C13H13 (1)
Stoich.:	AB2C2D13E13 (1)
Weight, g/mol:	397.161326
ΔH_f, kcal/mol:	-18.47
Dipole, Da:	2.4
IP(EA), eV:	-8.96(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-[2-(trifluoromethyl)phenyl]urea

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CO1)NC(=O)NC2=CC=CC=C2I

DOS

IR

Vibrations