Geometry & MOs

Info

ID:	30726
PubChem CID:	841771
Reduced:	SN2O2C14H18 (1)
Stoich.:	AB2C2D14E18 (1)
Weight, g/mol:	278.108899
ΔH_f, kcal/mol:	-57.85
Dipole, Da:	8.7
IP(EA), eV:	-8.59(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations