Geometry & MOs

Info

ID:	148966
PubChem CID:	53788637
Reduced:	NO8C18H29 (1)
Stoich.:	AB8C18D29 (1)
Weight, g/mol:	373.022962
ΔH_f, kcal/mol:	-369.73
Dipole, Da:	4.55
IP(EA), eV:	-9.25(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(difluoromethoxycarbothioyl)-4-(2-methylpropyl)-2-(trifluoromethyl)pyridine-3-carbothioic S-acid

Drug info:

PubChemData

Smile

C1CCC2C(C1)NC3CC(C(=O)CC3O2)OC4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O

DOS

IR

Vibrations