Geometry & MOs

Info

ID:	228519
PubChem CID:	87565175
Reduced:	FO2C27H43 (1)
Stoich.:	AB2C27D43 (1)
Weight, g/mol:	265.088498
ΔH_f, kcal/mol:	-180.15
Dipole, Da:	4.24
IP(EA), eV:	-8.85(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[2-(3,4-dihydro-2H-chromen-6-yl)acetyl]amino]thiourea

Drug info:

PubChemData

Smile

C[C@H](CCCC(C)C)[C@H]1CCC2[C@@]1(CCCC2=C/C=C\3/C[C@H]([C@@H]([C@H](C3=C)O)F)O)C

DOS

IR

Vibrations