Geometry & MOs

Info

ID:	377757
PubChem CID:	134223822
Reduced:	NO5C22H25 (1)
Stoich.:	AB5C22D25 (1)
Weight, g/mol:	326.102431
ΔH_f, kcal/mol:	-173.6
Dipole, Da:	15.72
IP(EA), eV:	-8.9(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(NE)-N-[1-[(2,5-dimethyltriazol-4-yl)-difluoromethyl]sulfinyl-2-fluoro-3,3-dimethylbutylidene]hydroxylamine

Drug info:

PubChemData

Smile

CC(C)[C@@H]1CC2=CC(=C(C=C2C3=CC(=O)C(=CN13)C(=O)O)OC)OC4CCC4

DOS

IR

Vibrations