Geometry & MOs

Info

ID:	30725
PubChem CID:	841770
Reduced:	ClNO4C15H16 (1)
Stoich.:	ABC4D15E16 (1)
Weight, g/mol:	278.108899
ΔH_f, kcal/mol:	-150.95
Dipole, Da:	8.47
IP(EA), eV:	-8.96(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O

DOS

IR

Vibrations