Geometry & MOs

Info

ID:	38220
PubChem CID:	8028152
Reduced:	FNPO3C16H19 (1)
Stoich.:	ABCD3E16F19 (1)
Weight, g/mol:	252.093249
ΔH_f, kcal/mol:	-186.07
Dipole, Da:	2.99
IP(EA), eV:	-9.3(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-ethylthiourea

Drug info:

PubChemData

Smile

COP(=O)([C@H](C1=CC=C(C=C1)F)NCC2=CC=CC=C2)OC

DOS

IR

Vibrations