Geometry & MOs

Info

ID:	242981
PubChem CID:	99214738
Reduced:	SN3O4C23H31 (1)
Stoich.:	AB3C4D23E31 (1)
Weight, g/mol:	350.160598
ΔH_f, kcal/mol:	-147.73
Dipole, Da:	4.89
IP(EA), eV:	-8.73(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-1-ethyl-3-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]urea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)NCCOC3=CC(=CC(=C3)C)C

DOS

IR

Vibrations