Geometry & MOs

Info

ID:	441658
PubChem CID:	135238971
Reduced:	ClN3O5C17H20 (1)
Stoich.:	AB3C5D17E20 (1)
Weight, g/mol:	444.117603
ΔH_f, kcal/mol:	-162.04
Dipole, Da:	4.42
IP(EA), eV:	-9.28(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1Z,2S)-1-amino-1-(2-hydroxyethoxyimino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]-3-(4-chlorophenyl)urea

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)Cl)C2=NOC(=N2)CC(=O)O

DOS

IR

Vibrations