Geometry & MOs

Info

ID:	58034
PubChem CID:	24423630
Reduced:	OSF2N2C18H20 (1)
Stoich.:	ABC2D2E18F20 (1)
Weight, g/mol:	280.160935
ΔH_f, kcal/mol:	-107.41
Dipole, Da:	7.67
IP(EA), eV:	-8.62(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-tert-butylphenyl)-3-(3-methoxypropyl)thiourea

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)OC(F)F

DOS

IR

Vibrations