Geometry & MOs

Info

ID:	228075
PubChem CID:	87563338
Reduced:	O3C30H50 (1)
Stoich.:	A3B30C50 (1)
Weight, g/mol:	389.02126
ΔH_f, kcal/mol:	-207.5
Dipole, Da:	1.89
IP(EA), eV:	-9.66(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-carbamoylphenyl)carbamothioyl]-3,4,5-trifluorobenzamide;hydrochloride

Drug info:

PubChemData

Smile

C[C@H](C=O)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)CO

DOS

IR

Vibrations