Geometry & MOs

Info

ID:	307768
PubChem CID:	125309021
Reduced:	FPN3O9C22H29 (1)
Stoich.:	ABC3D9E22F29 (1)
Weight, g/mol:	177.036068
ΔH_f, kcal/mol:	-483.84
Dipole, Da:	3.1
IP(EA), eV:	-9.35(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3H-indazole-6-carbothioamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OC(C)C)N[P@@](=O)(O[C@@H]1[C@@H](O[C@H]([C@@]1(C)F)N2C=CC(=O)NC2=O)CO)OC3=CC=CC=C3

DOS

IR

Vibrations