Geometry & MOs

Info

ID:	43288
PubChem CID:	10320749
Reduced:	ON2C29H42 (1)
Stoich.:	AB2C29D42 (1)
Weight, g/mol:	435.12169
ΔH_f, kcal/mol:	-66.46
Dipole, Da:	3.9
IP(EA), eV:	-9.12(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-fluorophenyl)ethyl]-3-[4-[4-(2-fluorophenyl)-1,2-oxazol-3-yl]phenyl]thiourea

Drug info:

PubChemData

Smile

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NCC2(CCCC2)C3=CC=C(C=C3)C(C)(C)C

DOS

IR

Vibrations