Geometry & MOs

Info

ID:	43652
PubChem CID:	10321595
Reduced:	ClNSO3H22C25 (1)
Stoich.:	ABCD3E22F25 (1)
Weight, g/mol:	451.01432
ΔH_f, kcal/mol:	-54.01
Dipole, Da:	6.51
IP(EA), eV:	-8.07(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-bromo-3-(trifluoromethyl)phenyl]-3-(4-pyridin-4-yloxyphenyl)urea

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1CC3=CC(=C(C=C3)Cl)O[C@@H](C)C(=O)O)SC4=CC=CC=C4

DOS

IR

Vibrations