Geometry & MOs

Info

ID:	343209
PubChem CID:	127266382
Reduced:	SN3O3C12H15 (1)
Stoich.:	AB3C3D12E15 (1)
Weight, g/mol:	346.088889
ΔH_f, kcal/mol:	-25.02
Dipole, Da:	5.4
IP(EA), eV:	-8.88(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methyl-3-nitrophenyl)-3-[[3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)NCC2CSC2

DOS

IR

Vibrations