Geometry & MOs

Info

ID:	58105
PubChem CID:	24424081
Reduced:	SN2F3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	339.140533
ΔH_f, kcal/mol:	-125.01
Dipole, Da:	6.69
IP(EA), eV:	-8.71(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(benzhydrylideneamino)-3-(oxolan-2-ylmethyl)thiourea

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=S)NC2=C(C(=C(C=C2)F)F)F

DOS

IR

Vibrations