Geometry & MOs

Info

ID:	232827
PubChem CID:	87577154
Reduced:	N3O5C15H17 (1)
Stoich.:	A3B5C15D17 (1)
Weight, g/mol:	344.990567
ΔH_f, kcal/mol:	-126.62
Dipole, Da:	11.28
IP(EA), eV:	-9.11(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-amino-6-fluoro-3-hydroxyphenyl)-3-(2,4-dichlorophenyl)thiourea

Drug info:

PubChemData

Smile

C[C@@H](C(C)C)NC1=C(C(=O)C1=O)NC2=C(C(=NC=C2)C(=O)O)O

DOS

IR

Vibrations