Geometry & MOs

Info

ID:	30851
PubChem CID:	842007
Reduced:	OSN2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	250.113984
ΔH_f, kcal/mol:	-26.43
Dipole, Da:	8.51
IP(EA), eV:	-8.47(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)-3-[[(2S)-oxolan-2-yl]methyl]thiourea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=S)NC[C@H]2CCCO2

DOS

IR

Vibrations